Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.48 |
| ▸ | LSS | P48449 | 8/20 | 0.47 |
| ▸ | KDM2B | Q8NHM5 | 2/20 | 0.44 |
| ▸ | HTR7 | P34969 | 2/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6019881 | 1.00 | HTR2A (0.48) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6019433 | 0.90 | HTR2A (0.56) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6019437 | 0.90 | HTR2A (0.56) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6019099 | 0.90 | HTR2C (0.49) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6019093 | 0.90 | HTR2C (0.49) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6018576 | 0.89 | HTR2C (0.50) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6018570 | 0.89 | HTR2C (0.50) | HTR2AHTR2CSIGMAR1LSSKDM2B | |
| SCHEMBL6019918 | 0.86 | SIGMAR1 (0.50) | HTR2AHTR2CSIGMAR1KDM2BCXCR4 | |
| SCHEMBL6019910 | 0.86 | SIGMAR1 (0.50) | HTR2AHTR2CSIGMAR1KDM2BCXCR4 | |
| SCHEMBL6018494 | 0.86 | HTR2C (0.50) | HTR2AHTR2CSIGMAR1LSSKDM2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-100503560-C | Substituted cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2009-06-24 | — | — | CN | disclosed |
| EP-1456171-B1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-12-20 | — | — | EP | disclosed |
| US-20050272774-A1 | Substituted cyclohexane derivatives | ACKERMANN JEAN | 2005-12-08 | — | — | US | disclosed |
| US-6953806-B2 | Substituted cyclohexane derivatives | HOFFMANN-LA ROCHE INC. (US) | 2005-10-11 | — | — | US | disclosed |
| CN-1604890-A | Substituted cyclohexane derivatives | HOFFMANN LA ROCHE (CH) | 2005-04-06 | — | — | CN | disclosed |
| EP-1456171-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| US-20030199550-A1 | Substituted cyclohexane derivatives | F.HOFFMANN-LA ROCHE AG (CH) | 2003-10-23 | — | — | US | disclosed |
| WO-2003053919-A1 | SUBSTITUTED CYCLOHEXANE DERIVATIVES | F. HOFFMANN-LA-ROCHE AG (CH) | 2003-07-03 | — | — | 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-20050272774-A1 | Substituted cyclohexane derivatives | LSS, CYP51A1, CYP8B1 | HTR2A 3071/4885HTR2C 3745/4885SIGMAR1 3008/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | HTR2A 3269/4885HTR2C 3643/4885SIGMAR1 2490/4885 |
“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.