Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPBAR1 | Q8TDU6 | 3/20 | 0.71 |
| ▸ | TACR1 | P25103 | 17/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | TACR3 | P29371 | 6/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30376925 | 0.96 | GPBAR1 (0.76) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL337006 | 0.96 | GPBAR1 (0.76) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL1870300 | 0.94 | GPBAR1 (0.61) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL1871381 | 0.91 | TACR1 (0.69) | GPBAR1TACR1TACR3 | |
| SCHEMBL1872544 | 0.90 | GPBAR1 (0.74) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL27664146 | 0.88 | GPBAR1 (0.59) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL337043 | 0.88 | GPBAR1 (0.66) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL30981003 | 0.88 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL30981004 | 0.88 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 | |
| SCHEMBL336998 | 0.88 | GPBAR1 (0.77) | GPBAR1TACR1CYP3A4TACR3 |
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 10 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 |
| CN-1852712-B | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE | 2010-06-09 | — | — | CN | disclosed |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | HOFFMANN TORSTEN | 2009-05-28 | — | — | US | disclosed |
| EP-1643998-B1 | DUAL NK1/NK3 ANTAGONISTS FOR TREATING SCHIZOPHRENIA | HOFFMANN LA ROCHE (CH) | 2007-08-29 | — | — | EP | disclosed |
| CN-1852712-A | Dual NK1/NK3 antagonists for treating schizophrenia | HOFFMANN LA ROCHE (CH) | 2006-10-25 | — | — | CN | 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 (3 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 3/4885CYP3A4 3029/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | GPBAR1 313/4885TACR1 3/4885CYP3A4 3029/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | GPBAR1 313/4885TACR1 3/4885CYP3A4 3029/4885 |
“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.