Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 3/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | CPA1 | P15085 | 1/20 | 0.38 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.35 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.35 |
| ▸ | MIF | P14174 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11563760 | 0.79 | TRPA1 (0.50) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL20187556 | 0.78 | SLC6A4 (0.54) | IDO1TAAR1AGXTLMNA | |
| SCHEMBL3002338 | 0.78 | LOXL2 (0.48) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL6425532 | 0.78 | IDO1 (0.42) | IDO1TAAR1AGXT | |
| SCHEMBL459370 | 0.77 | EPHX1 (0.50) | TRPA1TAAR1MAOA | |
| SCHEMBL4806848 | 0.76 | TRPA1 (0.44) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL2766584 | 0.75 | TRPA1 (0.52) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL28771486 | 0.75 | TRPA1 (0.52) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL29091900 | 0.75 | TRPA1 (0.52) | TRPA1IDO1LOXL2TAAR1AGXT | |
| SCHEMBL14797209 | 0.75 | LOXL2 (0.50) | TRPA1IDO1LOXL2TAAR1AGXT |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685100-B1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME (GB) | 2011-02-09 | — | — | EP | disclosed |
| EP-1641756-B1 | 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR | MERCK SHARP & DOHME (GB) | 2007-04-11 | — | — | EP | disclosed |
| US-20060211735-A1 | 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor | MERCK SHARP & DOHME LTD. (GB) | 2006-09-21 | — | — | US | disclosed |
| US-7094777-B2 | 5-HT2A receptor ligands | MERK SHARP & DOHME LTD. | 2006-08-22 | — | — | US | disclosed |
| EP-1685100-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | Merck Sharp & Dohme Limited (GB) | 2006-08-02 | — | — | EP | disclosed |
| US-7071201-B2 | Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline | EISAI CO., LTD. (JP) | 2006-07-04 | — | — | US | disclosed |
| EP-1641756-A1 | 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR | MERCK SHARP & DOHME LTD. (GB) | 2006-04-05 | — | — | EP | disclosed |
| WO-2005047247-A1 | NOVEL1,3-DISUBSTITUTED AZETIDINE DERIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| WO-2005047246-A1 | NOVEL 1, 3-DISUBSTITUTED AZETIDINE DEIVATIVES FOR USE AS 5HT2A RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2005-05-26 | — | — | WO | disclosed |
| US-20050101586-A1 | Novel 5-HT2A receptor ligands | MERCK SHARP & DOHME LTD. (GB) | 2005-05-12 | — | — | US | disclosed |
| EP-1147084-B1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME (GB) | 2004-05-19 | — | — | EP | disclosed |
| US-20030203889-A1 | Phenylsulphonyl derivatives as 5-HT receptor ligands | MERCK & CO., INC. | 2003-10-30 | — | — | US | disclosed |
| US-6579881-B2 | Indoles | EISAI CO., LTD. (JP) | 2003-06-17 | — | — | US | disclosed |
| US-6559166-B1 | A class of phenylsulphonyl derivatives wherein the sulphonyl moiety is also attached to an N-arylalkyl-substituted azetidine, pyrrolidine or piperidine ring are selective antagonists of the human 5-HT2A receptor and are therefore | MERCK SHARP & DOHME LTD. | 2003-05-06 | — | — | US | disclosed |
| US-6448243-B1 | SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA | EISAI CO., LTD. (JP) | 2002-09-10 | — | — | US | disclosed |
| US-20020086999-A1 | Certain quinoline derivatives | EISAI CO., LTD. | 2002-07-04 | — | — | US | disclosed |
| US-20020019531-A1 | Indoles | EISAI CO., LTD. | 2002-02-14 | — | — | US | disclosed |
| EP-1147084-A1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 2001-10-24 | — | — | EP | disclosed |
| WO-2000043362-A1 | PHENYLSULPHONYL DERIVATIVES AS 5-HT RECEPTOR LIGANDS | MERCK SHARP & DOHME LIMITED (GB) | 2000-07-27 | — | — | WO | disclosed |
| EP-0976732-A1 | 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES | Eisai Co., Ltd. (JP) | 2000-02-02 | — | — | EP | 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 (5 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-20050101586-A1 | Novel 5-HT2A receptor ligands | HTR2A, HTR1A, HTR5A | TRPA1 282/4885IDO1 622/4885LOXL2 1405/4885 |
| US-20020019531-A1 | Indoles | INMT, MUSK, MB | TRPA1 3079/4885IDO1 8/4885LOXL2 4223/4885 |
| US-20020086999-A1 | Certain quinoline derivatives | CHRM1, CHRNA5, CHRNA4 | TRPA1 3239/4885IDO1 347/4885LOXL2 4651/4885 |
| US-20030203889-A1 | Phenylsulphonyl derivatives as 5-HT receptor ligands | HTR2A, HTR5A, HTR2C | TRPA1 520/4885IDO1 591/4885LOXL2 2382/4885 |
| US-20060211735-A1 | 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor | HTR2A, HTR2C, HTR5A | TRPA1 855/4885IDO1 694/4885LOXL2 2071/4885 |
“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.