Techniques for Purposing a New Compound and for Re-Purposing a Drug

13) A method for repurposing a pharmaceutical compound, resulting in a new treatment protocol to salvage a failed drug or an approved drug, the method comprising

• creating a computer model for pharmacokinetics and pharmacodynamics of a drug that has failed in clinical development or an approved drug from in vitro or in vivo data obtained from administration of at least a single dose of the drug from at least one clinical trial to predict one or more clinical outcomes;
• wherein the prediction of one or more clinical outcomes is compared with clinical results at least from at least one clinical trial and the comparison is used to adjust the computer model, wherein the computer model is an in silico patient that is adjusted according to the clinical results at least from at least one pre-clinical trial;
• and
• wherein a new treatment protocol to salvage the failed drug or the approved drug is determined based on computer simulation results.

15) A method for repurposing a pharmaceutical compound, resulting in a new treatment protocol to salvage a failed drug or an approved drug, the method comprising

• creating a computer model for pharmacokinetics and pharmacodynamics of a drug that has failed in clinical development or an approved drug from in vitro or in vivo data obtained from administration of at least a single dose of the drug from at least one clinical trial to predict one or more clinical outcomes;
• wherein the prediction of one or more clinical outcomes is compared with clinical results at least from at least one clinical trial and the comparison is used to adjust the computer model, wherein the computer model is an in silico patient that is adjusted according to the clinical results at least from at least one phase I clinical trial;
• and
• wherein a new treatment protocol to salvage the failed drug or the approved drug is determined based on results of the computer simulation predictions.

18) A method for repurposing a pharmaceutical compound, resulting in a new treatment protocol to salvage a failed drug or an approved drug, the method comprising

• creating a computer model for pharmacokinetics and pharmacodynamics of a drug that has failed in clinical development or an approved drug from in vitro or in vivo data obtained from administration of at least a single dose of the drug from at least one clinical trial to predict one or more clinical outcomes;
• wherein the prediction of one or more clinical outcomes is compared with clinical results at least from at least one clinical trial and the comparison is used to adjust the computer model, wherein the computer model is an in silico patient that is adjusted according to the clinical results at least from at least phase II clinical trial;
• and
• wherein a new treatment protocol to salvage the failed drug or the approved drug is determined based on the computer simulation results.

20) A method for repurposing a pharmaceutical compound, resulting in a new treatment protocol to salvage a failed drug or an approved drug, the method comprising

• creating a computer model for pharmacokinetics and pharmacodynamics of a drug that has failed in clinical development or an approved drug from in vitro or in vivo data obtained from administration of at least a single dose of the drug from at least one clinical trial to predict one or more clinical outcomes;
• wherein the prediction of one or more clinical outcomes is compared with clinical results at least from at least one clinical trial and the comparison is used to adjust the computer model, wherein the computer model is an in silico patient that is adjusted according to the clinical results at least from at least one phase III clinical trial;
• and
• wherein a new treatment protocol to salvage the failed drug or the approved drug is determined based on the computer simulation results.

22) A method for repurposing a pharmaceutical compound, resulting in a new treatment protocol to salvage a failed drug or an approved drug, the method comprising

• creating a computer model for pharmacokinetics and pharmacodynamics of a drug that has failed in clinical development or an approved drug from in vitro or in vivo data obtained from administration of at least a single dose of the drug from at least one clinical trial to predict post-marketing efficacy of the drug, and long term efficacy of the drug, resulting in prediction of one or more clinical outcomes;
• wherein the prediction of one or more clinical outcomes is compared with clinical results at least from at least one clinical trial and the comparison is used to adjust the computer model, wherein the computer model is an in silico patient that is adjusted according to the clinical results at least from at least one phase IV clinical trial;
• and
• wherein a new treatment protocol to salvage the failed drug or the approved drug is determined based on the computer simulation results.

24) A system for repurposing a pharmaceutical compound, the system comprising:

• identifying a pharmaceutical compound, wherein the pharmaceutical compound is a drug that has failed in clinical development or an approved drug;
• a computer model for pharmacokinetics and pharmacodynamics of the drug is created based on data of effects of the drug administered in vitro or in vivo to determine the physiological effect of the drug on a disease;
• a model adjustor that adjusts the computer model based upon results of computer simulations from at least one pre-clinical or at least one clinical trial;
• a treatment protocol generator that determines a new treatment protocol to salvage the drug that has failed in a clinical development or the approved drug.

33) A computer program product comprising a computer readable media having instructions that allows a computer to implement a process comprising:

• a) identifying a pharmaceutical compound, the pharmaceutical compound corresponding to a drug that has failed in clinical development or an approved drug;
• b) creating a computer model for pharmacokinetics and pharmacodynamics of the drug is created based on data of effects of the drug administered in vitro or in vivo to determine the physiological effect of the drug on a disease;
• c) adjusting the computer model based upon results of computer simulations from at least one pre-clinical or at least one clinical trial;
• d) determining a new treatment protocol to salvage the failed drug or the approved drug based on the results of computer simulation results;
• and
• e) displaying the new treatment protocol in an output window.