Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | APP | P05067 | 3/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 5/20 | 0.42 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.38 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL301150 | 0.87 | APP (0.61) | CYP2C9APPCYP2C19CYP3A4AKR1C1 | |
| SCHEMBL11287102 | 0.84 | HSD11B1 (0.40) | CYP2C9APPCYP2C19CYP3A4HSD11B1 | |
| SCHEMBL631791 | 0.83 | AKR1C1 (0.68) | CYP2C9CYP2C19AKR1C1HSD11B1MEN1 | |
| SCHEMBL31292256 | 0.83 | APP (0.46) | CYP2C9APPCYP2C19CYP3A4AKR1C1 | |
| SCHEMBL988946 | 0.83 | AKR1C1 (0.62) | CYP2C9APPCYP2C19CYP3A4AKR1C1 | |
| SCHEMBL1421838 | 0.83 | AKR1C1 (0.68) | CYP2C9APPCYP2C19CYP3A4AKR1C1 | |
| SCHEMBL11044721 | 0.82 | CYP2C9 (0.42) | CYP2C9APPCYP2C19CYP3A4AKR1C1 | |
| SCHEMBL11090558 | 0.82 | CYP2C19 (0.48) | CYP2C9CYP2C19CYP3A4AKR1C1HSD11B1 | |
| SCHEMBL11075416 | 0.82 | KMT2A (0.54) | CYP2C9AKR1C1HSD11B1AKR1C3AKR1C2 | |
| SCHEMBL11097640 | 0.82 | AKR1C1 (0.47) | CYP2C9APPCYP2C19CYP3A4AKR1C1 |
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 12 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 |
| EP-0035902-B1 | 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES | JANSSEN PHARMACEUTICA N.V. (BE) | 1984-10-31 | — | — | EP | disclosed |
| US-4460604-A | ANALGESICS, NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1984-07-17 | — | — | US | disclosed |
| US-4329353-A | ANTIEMETIC AND NEUROLEPTIC AGENTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1982-05-11 | — | — | US | disclosed |
| EP-0035902-A1 | 1-(4-Aryl-cyclohexyl)piperidine derivatives | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-09-16 | — | — | EP | disclosed |
| US-4180584-A | ANALGESIC; NARCOTIC ANTAGONIST | THE UPJOHN COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4065573-A | ANALGESICS | THE UPJOHN COMPANY (US) | 1977-12-27 | — | — | US | disclosed |
| US-3979444-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES | THE UPJOHN COMPANY (US) | 1976-09-07 | — | — | 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 (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 | CYP2C9 973/4885APP 482/4885CYP2C19 207/4885 |
“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.