SCHEMBL2415110

SCHEMBL2415110

COC[C@H](N)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.44
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
SCN4A P35499 5/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
DPP4 P27487 2/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL4578371 1.00 AOC3 (0.44) AOC3IDO1TDO2SCN4ASLC6A2
SCHEMBL16334289 1.00 AOC3 (0.44) AOC3IDO1TDO2SCN4ASLC6A2
Hydrochloric Acid SCHEMBL27833791 0.98 IDO1 (0.45) AOC3IDO1TDO2SCN4ASLC6A2
Hydrochloric Acid SCHEMBL27833790 0.98 IDO1 (0.45) AOC3IDO1TDO2SCN4ASLC6A2
SCHEMBL2670037 0.86 AOC3 (0.41) AOC3IDO1TDO2SCN4ASLC6A2
SCHEMBL93693 0.81 CYP1A2 (0.41) SCN4ASLC6A4CYP1A2CYP2D6CYP2C19
SCHEMBL8470594 0.79 ESR1 (0.43) SCN4ASLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL16563617 0.79 DPP4 (0.41) SCN4ASLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL5460859 0.79 SCN4A (0.53) AOC3IDO1TDO2SCN4ASLC6A2
SCHEMBL7770297 0.79 CYP1A2 (0.63) AOC3SCN4ASLC6A4CYP1A2CYP2D6

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016041201-A1 THIENOPYRIMIDINE DERIVATIVES AND PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 上海创诺医药集团有限公司 2016-03-24 WO disclosed
EP-2365752-B1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS LLC (US) 2014-09-24 EP disclosed
US-8486951-B2 Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2013-07-16 US disclosed
US-8420679-B2 Aminothiazole derivatives and their use as CRF receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2013-03-28 US disclosed
US-8278331-B2 N-acyl ureas exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC (US) 2012-10-02 US disclosed
CN-102256493-A Cyclopropane amides and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS LLC 2011-11-23 CN disclosed
EP-2365752-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES Deciphera Pharmaceuticals, Llc (US) 2011-09-21 EP disclosed
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES ASTRAZENECA R&D (SE) 2010-06-17 US disclosed
US-20100120806-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC 2010-05-13 US disclosed
CN-1434808-A Novel branched substituted amino derivatives of 3-amino-1-phemyl-1H[1,2,4]triazo, methods for producing them and pharmaceutica compositions containing them SANOFI SYNTHELABO (FR) 2003-08-06 CN disclosed
US-6586456-B1 Corticotropin releasing factor (CRF) antagonists such as (4-(2-chloro-4-methoxy-5-methylphenyl)-5-methylthiazol-2-yl)(( (1-(3-fluoro-4-methylphenyl)-2-methoxyethyl))prop-2-ynylamine, prepared by alkylation with propagyl bromide SANOFI-SYNTHELABO (FR) 2003-07-01 US disclosed
EP-1242389-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2002-09-25 EP disclosed
CN-1370154-A Aminothiazole derivatives and their use as CRF receptor ligands SANOFI SYNTHELABO (FR) 2002-09-18 CN disclosed
EP-1200419-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2002-05-02 EP disclosed
WO-2001044207-A2 NOVEL BRANCHED SUBSTITUTED AMINO DERIVATIVES OF 3-AMINO-1-PHENYL-1H[1,2,4]TRIAZOL, METHODS FOR PRODUCING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-06-21 WO disclosed
WO-2001005776-A1 AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS SANOFI-SYNTHELABO (FR) 2001-01-25 WO disclosed
US-5854268-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARP & DOHME, LTD. (GB) 1998-12-29 US disclosed
EP-0804434-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1997-11-05 EP disclosed
WO-1996004274-A1 AZETIDINE, PYRROLIDINE AND PIPERIDINE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1996-02-15 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100152219-A1 PYRAZOLE DERIVATIVES AS INHIBITORS OF RECEPTOR TYROSINE KINASES LTK, ERBB2, ERBB3 AOC3 3675/4885IDO1 2773/4885TDO2 1391/4885
US-20130079362-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, PDGFRA, PDGFRB AOC3 4057/4885IDO1 3754/4885TDO2 4166/4885
US-20100120806-A1 CYCLOPROPANE AMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES KIT, PDGFRA, PDGFRB AOC3 3943/4885IDO1 3645/4885TDO2 4273/4885

“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.