Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | TACR1 | P25103 | 5/20 | 0.37 |
| ▸ | IDO1 | P14902 | 3/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | TDO2 | P48775 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL264592 | 1.00 | PNMT (0.46) | PNMTSCN9ACES2TACR1IDO1 | |
| SCHEMBL459815 | 1.00 | PNMT (0.46) | PNMTSCN9ACES2TACR1IDO1 | |
| SCHEMBL29256555 | 0.88 | PNMT (0.41) | PNMTSCN9ACES2PDE2AGRIN2B | |
| SCHEMBL30988810 | 0.88 | PNMT (0.41) | PNMTSCN9ACES2PDE2AGRIN2B | |
| SCHEMBL29256557 | 0.88 | PNMT (0.41) | PNMTSCN9ACES2PDE2AGRIN2B | |
| SCHEMBL25920947 | 0.84 | PNMT (0.47) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL2394599 | 0.81 | PDE2A (0.51) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL7787286 | 0.81 | PNMT (0.49) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL5610427 | 0.81 | PDE2A (0.51) | PNMTCES2TACR1IDO1PDE2A | |
| SCHEMBL531699 | 0.81 | PNMT (0.68) | PNMTCES2TACR1IDO1TDO2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6953792-B2 | Cyclohexyl derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| WO-2005003140-A1 | 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2005-01-13 | — | — | WO | disclosed |
| US-20050004161-A1 | 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents | AGOURON PHARMACEUTICALS, INC. | 2005-01-06 | — | — | US | disclosed |
| US-20030225059-A1 | Cyclohexyl derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-04 | — | — | US | disclosed |
| EP-1165540-B1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2003-08-13 | — | — | EP | disclosed |
| EP-1286978-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| US-6458830-B1 | THE COMPOUNDS ARE OF PARTICULAR USE IN THE TREATMENT OR PREVENTION OF DEPRESSION, ANXIETY, PAIN, INFLAMMATION, MIGRAINE, EMESIS AND POSTHERPETIC NEURALGIA. | MERCK SHARP & DOHME LTD. | 2002-10-01 | — | — | US | disclosed |
| EP-1165540-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2002-01-02 | — | — | EP | disclosed |
| WO-2001087866-A1 | CYCLOHEXYL DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | WO | disclosed |
| WO-2000056727-A1 | TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2000-09-28 | — | — | WO | 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-20050004161-A1 | 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents | ZC3HAV1, IRF3, BRD4 | PNMT 2731/4885SCN9A 4423/4885CES2 1710/4885 |
| US-20030225059-A1 | Cyclohexyl derivatives and their use as therapeutic agents | CNR2, CNR1, HRH2 | PNMT 1093/4885SCN9A 1683/4885CES2 1566/4885 |
“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.