Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | LSS | P48449 | 2/20 | 0.33 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.31 |
| ▸ | KDM5A | P29375 | 1/20 | 0.31 |
| ▸ | KDM7A | Q6ZMT4 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.31 |
| ▸ | KDM2A | Q9Y2K7 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 2/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | PTGIR | P43119 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL6018562 | 1.00 | TDP1 (0.37) | TDP1CNR2GPR119NR1H2LSS | |
| SCHEMBL6019184 | 0.97 | CNR2 (0.35) | TDP1CNR2GPR119NR1H2LSS | |
| SCHEMBL6019187 | 0.97 | CNR2 (0.35) | TDP1CNR2GPR119NR1H2LSS | |
| SCHEMBL15017085 | 0.89 | CNR2 (0.38) | CNR2NR1H2ASGR1HDAC1HDAC2 | |
| SCHEMBL6018687 | 0.86 | CYP4F2 (0.33) | TDP1CNR2GPR119NR1H2HDAC1 | |
| SCHEMBL6018821 | 0.86 | CYP4F2 (0.33) | TDP1CNR2GPR119NR1H2HDAC1 | |
| SCHEMBL6018690 | 0.86 | CYP4F2 (0.33) | TDP1CNR2GPR119NR1H2HDAC1 | |
| SCHEMBL6019337 | 0.86 | NR1H2 (0.43) | CNR2NR1H2ASGR1HDAC1HDAC2 | |
| SCHEMBL6019334 | 0.86 | NR1H2 (0.43) | CNR2NR1H2ASGR1HDAC1HDAC2 | |
| SCHEMBL6018645 | 0.85 | GPR119 (0.38) | CNR2GPR119LSSHDAC1HDAC2 |
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 | TDP1 3462/4885CNR2 496/4885GPR119 272/4885 |
| US-20030199550-A1 | Substituted cyclohexane derivatives | CYP51A1, LSS, CYP46A1 | TDP1 2476/4885CNR2 547/4885GPR119 277/4885 |
“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.