SCHEMBL1095476

SCHEMBL1095476

COc1cc2c(cc1Br)C(CO)CN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 2/20 0.43
HTR2C P28335 5/20 0.42
HTR2B P41595 5/20 0.42
HTR2A P28223 4/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MTNR1A P48039 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.38
DRD1 P21728 1/20 0.38
DRD5 P21918 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL1096119 0.92 HTR2C (0.50) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL4936392 0.86 HTR2C (0.48) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL1094838 0.86 HTR2C (0.48) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL4936397 0.86 HTR2C (0.48) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL1095374 0.84 HTR2C (0.51) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL1095441 0.83 ESR1 (0.42) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL1095121 0.81 ESR1 (0.61) MTNR1BESR1ESR2MTNR1ALMNA
SCHEMBL1094747 0.79 MTNR1B (0.43) MTNR1BHTR2CHTR2BHTR2AESR1
SCHEMBL16417004 0.77 ESR1 (0.62) ESR1ESR2KMT2AMEN1
SCHEMBL15194348 0.77 HTR2A (0.47) MTNR1BHTR2CHTR2AESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2374796-B1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorderes ARENA PHARM INC (US) 2018-02-28 EP disclosed
US-20160250223-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-09-01 US disclosed
US-20160024014-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2016-01-28 US disclosed
US-8993750-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS ARENA PHARMACEUTICALS, INC. 2015-03-26 US disclosed
US-20150045552-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2015-02-12 US disclosed
US-8846906-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-8575149-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-11-05 US disclosed
US-8546379-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546378-B2 5HT2C receptor modulator compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-7514422-B2 5HT2c receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
EP-1833473-A2 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE Arena Pharmaceuticals, Inc. (US) 2007-09-19 EP disclosed
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound ARENA PHARMACEUTICALS, A DELAWARE CORPORATION 2007-03-15 US disclosed
EP-1411881-B9 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2006-11-15 EP disclosed
WO-2006071740-A2 5HT2C RECEPTOR MODULATOR COMPOSITIONS AND METHODS OF USE ARENA PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
US-6953787-B2 5HT2C receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2005-10-11 US disclosed
EP-1557409-A1 5HT2C receptor modulators Arena Pharmaceuticals, Inc. (US) 2005-07-27 EP disclosed
EP-1411881-B1 5HT2C RECEPTOR MODULATORS ARENA PHARM INC (US) 2005-05-04 EP disclosed
US-20050020573-A1 Obesity; using 3-benoazepine compound ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 US disclosed
US-20030225057-A1 3-Benzoazepine derivatives ARENA PHARMACEUTICALS, INC. (US) 2003-12-04 US 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 (7 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-20030225057-A1 3-Benzoazepine derivatives HTR2C, HTR1A, HTR3A MTNR1B 46/4885HTR2C 1/4885HTR2B 10/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B MTNR1B 43/4885HTR2C 1/4885HTR2B 14/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C MTNR1B 37/4885HTR2C 1/4885HTR2B 6/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A MTNR1B 55/4885HTR2C 1/4885HTR2B 10/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MTNR1B 42/4885HTR2C 1/4885HTR2B 7/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MTNR1B 42/4885HTR2C 1/4885HTR2B 7/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A MTNR1B 42/4885HTR2C 1/4885HTR2B 7/4885

“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.