Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 3/20 | 0.58 |
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | P2RX4 | Q99571 | 2/20 | 0.47 |
| ▸ | F13A1 | P00488 | 1/20 | 0.46 |
| ▸ | TGM2 | P21980 | 1/20 | 0.46 |
| ▸ | TGM1 | P22735 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5787375 | 1.00 | SMN1; SMN2 (0.58) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL603957 | 0.94 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL11912151 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4794200 | 0.90 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL16893317 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL10285807 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4303081 | 0.90 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4132748 | 0.90 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL376629 | 0.90 | SMN1; SMN2 (0.53) | SMN1; SMN2NPC1RAB9AMEN1KMT2A | |
| SCHEMBL4303084 | 0.90 | SMN1; SMN2 (0.63) | SMN1; SMN2NPC1RAB9AMEN1KMT2A |
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 8 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 |
| 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 |
| 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 | SMN1; SMN2 4576/4885NPC1 815/4885RAB9A 2076/4885 |
| US-20110178055-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | SMN1; SMN2 4576/4885NPC1 815/4885RAB9A 2076/4885 |
| US-20090137806-A1 | DUAL NK1/NK3 RECEPTOR ANTAGONISTS | TACR2, TAC3, TACR1 | SMN1; SMN2 4576/4885NPC1 815/4885RAB9A 2076/4885 |
“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.