Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL13102482 | 1.00 | NPC1 (0.51) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13092152 | 0.95 | TACR1 (0.49) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL13102665 | 0.94 | HTT (0.48) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7899606 | 0.94 | HTT (0.48) | NPC1CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL3100018 | 0.91 | ALDH1A1 (0.53) | TACR1HTTTP53ALDH1A1HDAC1 | |
| SCHEMBL7912225 | 0.83 | ALDH1A1 (0.53) | TACR1HTTTP53ALDH1A1HDAC1 | |
| SCHEMBL7912422 | 0.80 | ITGA4 (0.51) | CYP2C9TACR1HTTTP53ALDH1A1 | |
| SCHEMBL6543233 | 0.79 | ALDH1A1 (0.69) | TACR1HTTALDH1A1HDAC1OPRM1 | |
| SCHEMBL6404844 | 0.78 | ALDH1A1 (0.62) | HTTTP53ALDH1A1 | |
| SCHEMBL6410915 | 0.78 | ALDH1A1 (0.62) | HTTTP53ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8324250-B2 | Piperidine derivatives as NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2012-12-04 | — | — | US | disclosed |
| US-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2010-10-07 | — | — | US | disclosed |
| WO-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | 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-20100256126-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HTR3A, OPRL1, OPRK1 | NPC1 846/4885CYP3A4 1349/4885CYP2D6 826/4885 |
“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.