Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 16/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 15/20 | 0.61 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5765176 | 1.00 | TACR1 (0.61) | TACR1KCNH2CNR1CNR2GPR119 | |
| SCHEMBL5766116 | 0.89 | TACR1 (0.50) | TACR1KCNH2CNR1CNR2 | |
| SCHEMBL5766113 | 0.89 | TACR1 (0.50) | TACR1KCNH2CNR1CNR2 | |
| SCHEMBL5765834 | 0.88 | TACR1 (0.50) | TACR1KCNH2CNR1CNR2OPRM1 | |
| SCHEMBL5765836 | 0.88 | TACR1 (0.50) | TACR1KCNH2CNR1CNR2OPRM1 | |
| SCHEMBL5766173 | 0.79 | TACR1 (0.56) | TACR1KCNH2OPRM1 | |
| SCHEMBL5766168 | 0.79 | TACR1 (0.56) | TACR1KCNH2OPRM1 | |
| SCHEMBL5767315 | 0.75 | TACR1 (0.69) | TACR1KCNH2 | |
| SCHEMBL5767313 | 0.75 | TACR1 (0.69) | TACR1KCNH2 | |
| SCHEMBL2554955 | 0.75 | AKT1 (0.47) | CNR1CNR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1286967-B1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME (GB) | 2006-09-27 | — | — | EP | disclosed |
| US-7105507-B2 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LIMITED (GB) | 2006-09-12 | — | — | US | disclosed |
| US-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | MERCK SHARP & DOHME LTD. (GB) | 2003-12-25 | — | — | US | disclosed |
| EP-1286967-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LTD. (GB) | 2003-03-05 | — | — | EP | disclosed |
| WO-2001087838-A1 | CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS | MERCK SHARP & DOHME LIMITED (GB) | 2001-11-22 | — | — | 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 (1 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-20030236250-A1 | Cyclohexane derivatives and their use as therapeutic agents | CNR2, CNR1, HTR1A | TACR1 231/4885KCNH2 511/4885CNR1 2/4885 |
“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.