Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.43 |
| ▸ | TACR2 | P21452 | 4/20 | 0.43 |
| ▸ | TACR1 | P25103 | 4/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TACR3 | P29371 | 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 | |
|---|---|---|---|---|
| SCHEMBL7909164 | 0.90 | POLB (0.50) | MEN1KMT2AATMCA12CA1 | |
| SCHEMBL13092229 | 0.87 | CA12 (0.48) | CYP2C9CYP2C19MEN1KMT2AATM | |
| SCHEMBL378834 | 0.86 | TACR1 (0.48) | MEN1KMT2AATMTACR1CA12 | |
| SCHEMBL13092237 | 0.86 | CA12 (0.47) | MEN1KMT2AATMCA12CA1 | |
| SCHEMBL3714839 | 0.86 | NPC1 (0.49) | CYP2C9CYP2C19MEN1KMT2AATM | |
| SCHEMBL7900592 | 0.86 | NPY1R (0.45) | MEN1KMT2ATACR1MGLLCA12 | |
| SCHEMBL13092230 | 0.86 | CA12 (0.44) | CYP1A2MEN1KMT2AATMCA12 | |
| SCHEMBL13092174 | 0.85 | MAPK1 (0.56) | CYP1A2CYP2C9CYP2C19ATMCA12 | |
| SCHEMBL13092211 | 0.84 | TSHR (0.44) | CYP1A2CYP2C9CYP2C19MEN1KMT2A | |
| SCHEMBL13092221 | 0.84 | PIN1 (0.47) | CYP1A2CYP2C9ATMCA12CA1 |
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 5 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-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 |
| 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 | CYP1A2 1366/4885CYP2C9 2094/4885CYP2C19 777/4885 |
“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.