Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | METAP2 | P50579 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.36 |
| ▸ | SMO | Q99835 | 6/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.35 |
| ▸ | NOS1 | P29475 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5918310 | 0.85 | CNR2 (0.43) | CYP2A6METAP2CNR2TRPV1GABRA1 | |
| SCHEMBL5918417 | 0.81 | GABRG2 (0.36) | CYP2A6CNR2GABRA1GABRG2GABRB3 | |
| SCHEMBL5918381 | 0.80 | CYP11B2 (0.36) | CYP11B2 | |
| SCHEMBL5918405 | 0.80 | CYP2A6 (0.53) | CYP2A6METAP2CNR2TRPV1GRIA2 | |
| SCHEMBL5918420 | 0.78 | KCNA5 (0.33) | TRPV1GABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5918467 | 0.78 | RORB (0.41) | TRPV1SMO | |
| SCHEMBL27876851 | 0.77 | CYP11B2 (0.43) | CYP2A6METAP2CNR2TRPV1GABRA1 | |
| SCHEMBL5481966 | 0.77 | TRPV1 (0.45) | TRPV1 | |
| SCHEMBL5918319 | 0.77 | CYP2A6 (0.47) | CYP2A6METAP2CNR2TRPV1GRIA2 | |
| SCHEMBL5918403 | 0.77 | CNR2 (0.44) | METAP2CNR2TRPV1GABRA1GABRG2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7442701-B2 | Amino-heterocycles as VR-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2008-10-28 | — | — | US | disclosed |
| EP-1562934-B1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME (GB) | 2008-03-26 | — | — | EP | disclosed |
| US-20060154930-A1 | Substituted amino heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-07-13 | — | — | US | disclosed |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2006-02-23 | — | — | US | disclosed |
| EP-1597261-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-11-23 | — | — | EP | disclosed |
| EP-1562934-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2005-08-17 | — | — | EP | disclosed |
| WO-2004074290-A1 | SUBSTITUTED AMINO HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-09-02 | — | — | WO | disclosed |
| WO-2004046133-A1 | AMINO-HETEROCYCLES AS VR-1 ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2004-06-03 | — | — | 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-20060154930-A1 | Substituted amino heterocycles as vr-1 antagonists for treating pain | OPRL1, OPRM1, OPRK1 | CYP2A6 532/4885METAP2 3141/4885CNR2 26/4885 |
| US-20060040947-A1 | Amino-heterocycles as vr-1 antagonists for treating pain | OPRL1, CNR1, GPR6 | CYP2A6 293/4885METAP2 2243/4885CNR2 11/4885 |
“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.