Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR119 | Q8TDV5 | 6/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | FAAH | O00519 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24824546 | 0.86 | GPR119 (0.45) | GPR119SMN1; SMN2THRBGAAMAPT | |
| SCHEMBL16399632 | 0.81 | SMN1; SMN2 (0.61) | GPR119SMN1; SMN2THRBGAAMAPT | |
| SCHEMBL27282596 | 0.80 | EPHX2 (0.53) | SMN1; SMN2KDM4EEPHX2KCNH2 | |
| SCHEMBL10189711 | 0.79 | GPR119 (0.43) | GPR119SMN1; SMN2THRBGAARECQL | |
| SCHEMBL23242921 | 0.79 | FAAH (0.58) | GPR119SMN1; SMN2THRBGAAMAPT | |
| SCHEMBL9965941 | 0.79 | GPR119 (0.43) | GPR119SMN1; SMN2THRBGAARECQL | |
| SCHEMBL16187765 | 0.79 | GPR119 (0.43) | GPR119SMN1; SMN2THRBGAARECQL | |
| SCHEMBL12234858 | 0.78 | ALDH1A1 (0.60) | GAAMAPT | |
| SCHEMBL314695 | 0.77 | SMN1; SMN2 (0.58) | GPR119SMN1; SMN2THRBGAAMAPT | |
| SCHEMBL19899477 | 0.76 | SMN1; SMN2 (0.57) | GPR119SMN1; SMN2THRBGAAMAPT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083591-B1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2018-01-03 | — | — | EP | disclosed |
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-9751861-B2 | N1-(3,3,3-trifluoro-2-hydroxo-2-methylpropionyl)-piperidine derivatives as inhibitors of pyruvate dehydrogenase kinase | MERCK PATENT GMBH (DE) | 2017-09-05 | — | — | US | disclosed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | US | disclosed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | US | disclosed |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2016-10-27 | — | — | US | disclosed |
| EP-3083591-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | Merck Patent GmbH (DE) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015090496-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | disclosed |
| WO-2015090496-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | MERCK PATENT GMBH (DE) | 2015-06-25 | — | — | WO | disclosed |
| US-8642774-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-8642774-B2 | Compounds | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-02-04 | — | — | US | disclosed |
| US-20130150341-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | US | disclosed |
| US-20130150341-A1 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-06-13 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20130150341-A1 | NOVEL COMPOUNDS | GRM5, GRM1, GRIK5 | GPR119 53/4885SMN1; SMN2 2379/4885THRB 696/4885 |
| US-20160311798-A1 | N1-(3,3,3-TRIFLUORO-2-HYDROXO-2-METHYLPROPIONYL)-PIPERIDINE DERIVATIVES AS INHIBITORS OF PYRUVATE DEHYDROGENASE KINASE | PDK1, PDK3, PDK2 | GPR119 1059/4885SMN1; SMN2 1712/4885THRB 1952/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.