Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.59 |
| ▸ | TACR1 | P25103 | 16/20 | 0.58 |
| ▸ | TACR3 | P29371 | 9/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL337682 | 0.88 | GPBAR1 (0.57) | GPBAR1TACR1TACR3 | |
| SCHEMBL30376925 | 0.88 | GPBAR1 (0.76) | GPBAR1TACR1TACR3 | |
| SCHEMBL337006 | 0.88 | GPBAR1 (0.76) | GPBAR1TACR1TACR3 | |
| SCHEMBL1872436 | 0.87 | GPBAR1 (0.58) | GPBAR1TACR1TACR3 | |
| SCHEMBL337184 | 0.87 | TACR1 (0.74) | GPBAR1TACR1TACR3 | |
| SCHEMBL1869259 | 0.86 | GPBAR1 (0.71) | GPBAR1TACR1TACR3 | |
| SCHEMBL1873637 | 0.86 | TACR1 (0.62) | GPBAR1TACR1TACR3 | |
| SCHEMBL1871381 | 0.85 | TACR1 (0.69) | GPBAR1TACR1TACR3 | |
| SCHEMBL1872983 | 0.85 | TACR1 (0.61) | GPBAR1TACR1TACR3 | |
| SCHEMBL337088 | 0.84 | TACR1 (0.66) | GPBAR1TACR1TACR3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404708-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2011-07-21 | — | — | US | disclosed |
| US-7939533-B2 | Dual NK1/NK3 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2011-05-10 | — | — | US | disclosed |
| EP-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | disclosed |
| EP-1856052-B1 | NK1 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2009-09-02 | — | — | EP | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| EP-1856052-A2 | NK1 ANTAGONISTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-11-21 | — | — | EP | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| US-7176205-B2 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2007-02-13 | — | — | US | disclosed |
| WO-2006089658-A2 | NK1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-08-31 | — | — | WO | disclosed |
| US-20060189626-A1 | Bi-pyridinyl derivatives as NK-1 antagonists | HOFFMANN-LA ROCHE INC. | 2006-08-24 | — | — | US | disclosed |
| EP-1643998-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2006-04-12 | — | — | EP | disclosed |
| US-20050090533-A1 | Dual NK1/NK3 receptor antagonists | F. HOFMANN-LA ROCHE AG (CH) | 2005-04-28 | — | — | US | disclosed |
| WO-2005002577-A1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-13 | — | — | 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 (4 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-20050090533-A1 | Dual NK1/NK3 receptor antagonists | TACR2, TAC3, TACR1 | GPBAR1 313/4885TACR1 3/4885TACR3 4/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | GPBAR1 313/4885TACR1 3/4885TACR3 4/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | GPBAR1 313/4885TACR1 3/4885TACR3 4/4885 |
| US-20060189626-A1 | Bi-pyridinyl derivatives as NK-1 antagonists | OPRK1, BDKRB1, MTNR1A | GPBAR1 105/4885TACR1 72/4885TACR3 462/4885 |
“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.