SCHEMBL533937

SCHEMBL533937

NCCc1ccc(F)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.52
HTR2A P28223 3/20 0.47
MPO P05164 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
KMT2A Q03164 3/20 0.46
HTR1A P08908 1/20 0.46
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42
MAOB P27338 1/20 0.39
HTR2C P28335 1/20 0.39
MEN1 O00255 2/20 0.39
RAD52 P43351 2/20 0.39
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAPDH P04406 1/20 0.39
THRB P10828 1/20 0.39
APEX1 P27695 1/20 0.39
BLM P54132 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL32684199 1.00 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
Hydrochloric Acid SCHEMBL27809219 0.98 TAAR1 (0.50) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL6919996 0.84 TAAR1 (0.39) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL30814757 0.83 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL535214 0.83 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL3910128 0.83 MPO (0.44) TAAR1HTR2AMPOTRPM8IDO1
Hydrochloric Acid SCHEMBL18524413 0.82 TAAR1 (0.50) TAAR1HTR2AMPOTRPM8KMT2A
Hydrochloric Acid SCHEMBL856646 0.81 MPO (0.43) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL27973320 0.81 PKM (0.37) KMT2AIDO1AGXTMEN1KDM4E
SCHEMBL29431834 0.80 IDO1 (0.57) TAAR1HTR2AMPOTRPM8KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221298-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 Takeda Pharmaceutical Company Limited (JP) 2017-09-27 EP disclosed
WO-2016081736-A1 4-OXO-3,4-DIHYDRO-1,2,3-BENZOTRIAZINES AS MODULATORS OF GPR139 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-26 WO disclosed
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
CN-101679395-B Triazolyl aminopyrimidine compounds LILLY CO ELI 2012-06-13 CN disclosed
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2413941-A1 RENIN INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-02-08 EP disclosed
US-8063035-B2 Triazolyl aminopyrimidine compounds ELI LILLY AND COMPANY (US) 2011-11-22 US disclosed
WO-2010114978-A1 RENIN INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-10-07 WO disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2193110-A1 SINGLE-LAYER FACADE COATING AND PRODUCTION METHOD THEREFOR Saint-Gobain Weber France (FR) 2010-06-09 EP disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY 2010-04-08 US disclosed
CN-101679395-A triazolyl aminopyrimidine compounds LILLY CO ELI 2010-03-24 CN disclosed
EP-2155734-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2010-02-24 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO disclosed
WO-2009037409-A1 SINGLE-LAYER FACADE COATING AND PRODUCTION METHOD THEREFOR SAINT-GOBAIN WEBER FRANCE (FR) 2009-03-26 WO disclosed
WO-2008144223-A2 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-11-27 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-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TAAR1 1781/4885HTR2A 3006/4885MPO 829/4885
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 TAAR1 1133/4885HTR2A 213/4885MPO 836/4885
US-20100087431-A1 TRIAZOLYL AMINOPYRIMIDINE COMPOUNDS DPYD, TP53, TYMP TAAR1 3560/4885HTR2A 2804/4885MPO 2994/4885

“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.