Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | KMO | O15229 | 3/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | FFAR2 | O15552 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL624052 | 1.00 | CYP2C19 (0.60) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL5879212 | 1.00 | CYP2C19 (0.60) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL5879182 | 0.87 | SLC6A2 (0.44) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL5879184 | 0.87 | SLC6A2 (0.44) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL623726 | 0.87 | SLC6A2 (0.44) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL12497309 | 0.86 | CYP2C19 (0.55) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL8067450 | 0.86 | ALDH1A1 (0.43) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL8329882 | 0.86 | SLC6A2 (0.43) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL8329884 | 0.86 | SLC6A2 (0.43) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 | |
| SCHEMBL8067451 | 0.86 | ALDH1A1 (0.43) | CYP2C19AKR1C3AKR1C2SLC6A2SLC6A4 |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5391819-A | Process of making chiral 2-aryl-1,4-butanediamine derivatives as useful neurokinin-A antagonists | MERCK & CO., INC. (US) | 1995-02-21 | — | — | US | claimed |
| EP-1276729-B1 | NEW NEUROKININ ANTAGONISTS FOR USE AS MEDICAMENTS | ASTRAZENECA AB (SE) | 2008-07-09 | — | — | EP | disclosed |
| US-7235541-B2 | Neurokinin antagonists for use as medicaments | ASTRAZENECA AB (SE) | 2007-06-26 | — | — | US | disclosed |
| US-7235541-B2 | Neurokinin antagonists for use as medicaments | ASTRAZENECA AB (SE) | 2007-06-26 | — | — | US | disclosed |
| US-20070021406-A1 | New neurokinin antagonists for use as medicaments | ASTRAZENECA AB (SE) | 2007-01-25 | — | — | US | disclosed |
| US-20070021406-A1 | New neurokinin antagonists for use as medicaments | ASTRAZENECA AB (SE) | 2007-01-25 | — | — | US | disclosed |
| US-7034056-B2 | Aryl and biaryl compounds having MCH modulatory activity | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2006-04-25 | — | — | US | disclosed |
| EP-1077942-B1 | CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS | AVENTIS PHARMA INC (US) | 2005-01-12 | — | — | EP | disclosed |
| EP-0865430-B1 | 3-(4-SUBST.-PIPERIDINYL-1)-1-(3,4-DICHLOROPHENYL)PROPYL CARBAMATES AND UREAS AND DERIVATIVES AS NOVEL NEUROKININ ANTAGONISTS | ASTRAZENECA AB (SE) | 2004-03-03 | — | — | EP | disclosed |
| EP-1370520-A1 | ARYL AND BIARYL COMPOUNDS HAVING MCH MODULATORY ACTIVITY | PHARMACOPEIA, INC. (US) | 2003-12-17 | — | — | EP | disclosed |
| WO-1996010568-A1 | SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1996-04-11 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| EP-0681571-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-11-15 | — | — | EP | disclosed |
| EP-0680962-A2 | Heterocyclic compounds | ZENECA LIMITED (GB) | 1995-11-08 | — | — | EP | disclosed |
| WO-1995028931-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ-3 ANTAGONISTS | MERCK & CO., INC. (US) | 1995-11-02 | — | — | WO | disclosed |
| US-5434158-A | Asthma | MERCK & CO., INC. (US) | 1995-07-18 | — | — | US | disclosed |
| WO-1995016682-A1 | CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS | ZENECA LIMITED (GB) | 1995-06-22 | — | — | WO | disclosed |
| US-5391819-A | Process of making chiral 2-aryl-1,4-butanediamine derivatives as useful neurokinin-A antagonists | MERCK & CO., INC. (US) | 1995-02-21 | — | — | US | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |
| WO-1994017045-A1 | SPIRO-SUBSTITUTED AZACYCLES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-08-04 | — | — | 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-20070021406-A1 | New neurokinin antagonists for use as medicaments | NPSR1, HRH4, OPRL1 | CYP2C19 835/4885AKR1C3 667/4885AKR1C2 847/4885 |
“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.