Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 6/20 | 0.49 |
| ▸ | HTR2C | P28335 | 5/20 | 0.49 |
| ▸ | HTR7 | P34969 | 5/20 | 0.49 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 7/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | LSS | P48449 | 3/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018840 | 1.00 | HTR2A (0.49) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6019119 | 0.99 | HTR2A (0.49) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6019114 | 0.99 | HTR2A (0.49) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6020133 | 0.88 | LSS (0.52) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6020138 | 0.88 | LSS (0.52) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6018760 | 0.87 | LSS (0.53) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6018767 | 0.87 | LSS (0.53) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL4801543 | 0.87 | HTR2A (0.56) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL4801540 | 0.87 | HTR2A (0.56) | HTR2AHTR2CHTR7PSEN1PSEN2 | |
| SCHEMBL6018984 | 0.86 | HTR2A (0.51) | HTR2AHTR2CHTR7PSEN1PSEN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 3745/4885HTR7 1620/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | HTR2A 3269/4885HTR2C 3643/4885HTR7 1628/4885 |
“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.