Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | HTR4 | Q13639 | 8/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 3/20 | 0.38 |
| ▸ | TACR2 | P21452 | 2/20 | 0.38 |
| ▸ | TACR1 | P25103 | 2/20 | 0.38 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL297808 | 0.90 | KCNH2 (0.41) | KCNH2CACNA1IHTR4TACR3TACR2 | |
| SCHEMBL295868 | 0.90 | KCNH2 (0.41) | KCNH2CACNA1IHTR4MCHR1OPRM1 | |
| SCHEMBL296888 | 0.88 | TACR3 (0.45) | KCNH2CACNA1IHTR4MCHR1TACR3 | |
| SCHEMBL296623 | 0.84 | CCR2 (0.44) | KCNH2CACNA1IOPRM1OPRL1TACR3 | |
| SCHEMBL296043 | 0.83 | TACR3 (0.51) | KCNH2CACNA1IMCHR1TACR3TACR2 | |
| SCHEMBL298316 | 0.82 | TACR3 (0.46) | KCNH2CACNA1ITACR3TACR2TACR1 | |
| SCHEMBL296864 | 0.80 | TACR3 (0.55) | OPRM1OPRL1TACR3TACR2TACR1 | |
| SCHEMBL297105 | 0.80 | SFRP1 (0.42) | KCNH2CACNA1ITACR3TACR2TACR1 | |
| SCHEMBL296644 | 0.78 | TACR3 (0.55) | KCNH2OPRM1OPRL1TACR3TACR2 | |
| SCHEMBL296503 | 0.78 | TACR3 (0.63) | KCNH2TACR3TACR2TACR1CCR5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2200982-B1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2012-03-14 | — | — | EP | disclosed |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | KNUST HENNER | 2011-01-27 | — | — | US | disclosed |
| US-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | HOFFMANN-LA ROCHE, INC. | 2009-03-19 | — | — | US | 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-20090076081-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | KCNH2 43/4885CACNA1I 941/4885HTR4 67/4885 |
| US-20110021565-A1 | PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS | DRD2, DRD3, OPRL1 | KCNH2 43/4885CACNA1I 941/4885HTR4 67/4885 |
“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.