SCHEMBL502349

SCHEMBL502349

O=C(NC(Cc1ccc(Br)cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.63
ITGA2B P08514 8/20 0.63
FPR2 P25090 2/20 0.60
TACR1 P25103 2/20 0.60
KDM1A O60341 1/20 0.60
CTSL P07711 1/20 0.58
CTSB P07858 1/20 0.58
CTSS P25774 1/20 0.58
CTSK P43235 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL2975870 1.00 ITGB3 (0.63) ITGB3ITGA2BFPR2TACR1KDM1A
SCHEMBL5887384 0.92 TACR1 (0.60) ITGB3ITGA2BTACR1KDM1ACTSL
SCHEMBL5887381 0.92 TACR1 (0.60) ITGB3ITGA2BTACR1KDM1ACTSL
SCHEMBL26661077 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL7372270 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL479010 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL220648 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL219151 0.92 TACR1 (0.68) ITGB3ITGA2BTACR1CTSLCTSB
SCHEMBL5887508 0.90 ALDH1A1 (0.65) TACR1KDM1ACTSLCTSBCTSS
SCHEMBL5887509 0.90 ALDH1A1 (0.65) TACR1KDM1ACTSLCTSBCTSS

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3186224-B1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS HOFFMANN LA ROCHE (CH) 2021-04-21 EP disclosed
CN-107001259-B Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2019-12-06 CN disclosed
US-10023559-B2 Substituted azetidine derivatives HOFFMAN-LA ROCHE INC. (US) 2018-07-17 US disclosed
CN-107001259-A Substituted azetidine derivatives as TAAR ligands 豪夫迈·罗氏有限公司 2017-08-01 CN disclosed
EP-3186224-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. Hoffmann-La Roche AG (CH) 2017-07-05 EP disclosed
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-25 US disclosed
WO-2016030310-A1 SUBSTITUTED AZETIDINE DERIVATIVES AS TAAR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2016-03-03 WO disclosed
WO-2015032942-A1 N-SUBSTITUTED 3,3'-(BIPHENYL-4,4'-DIYL)BIS-2-AMINOPROPANENITRILES AS DPPI INHIBITORS PROZYMEX A/S (DK) 2015-03-12 WO disclosed
US-8318767-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP (US) 2012-11-27 US disclosed
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS SCHERING CORPORATION 2012-04-12 US disclosed
US-8106070-B2 Substituted imidazoles as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-01-31 US disclosed
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators ALBANY MOLECULAR RESEARCH, INC. 2010-01-07 US disclosed
EP-2083822-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS Merck & Co., Inc. (US) 2009-08-05 EP disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120088788-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS BRS3, GPR119, GIPR ITGB3 2196/4885ITGA2B 4182/4885FPR2 2416/4885
US-10023559-B2 Substituted azetidine derivatives HTR1B, MTNR1B, DRD2 ITGB3 4573/4885ITGA2B 4075/4885FPR2 1432/4885
US-20100004280-A1 Substituted imidazoles as bombesin receptor subtype-3 modulators BRS3, GPR119, GIPR ITGB3 2196/4885ITGA2B 4182/4885FPR2 2416/4885
US-20170144994-A1 SUBSTITUTED AZETIDINE DERIVATIVES HTR1B, MTNR1B, DRD2 ITGB3 4573/4885ITGA2B 4075/4885FPR2 1432/4885

“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.