SCHEMBL1094997

SCHEMBL1094997

CC(C)C1CN(C(=O)C(F)(F)F)CCc2cc(O)c(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.41
ESR2 Q92731 7/20 0.41
DRD1 P21728 6/20 0.39
DRD5 P21918 3/20 0.39
DRD2 P14416 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADCY2 Q08462 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
LMNA P02545 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR1B P28222 1/20 0.38
MAPK1 P28482 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
SCHEMBL1094695 0.86 HTR2A (0.47) ESR1ESR2DRD1DRD5DRD2
SCHEMBL1095374 0.85 HTR2C (0.51) ESR1ESR2DRD1DRD5HTR2A
SCHEMBL1095362 0.80 HTR2C (0.36) ESR1ESR2DRD1DRD5HTR2A
SCHEMBL15828479 0.78 ESR1 (0.55) ESR1ESR2ABHD6
SCHEMBL1094619 0.76 ESR1 (0.62) ESR1ESR2DRD1CYP2D6LMNA
SCHEMBL17890603 0.75 ESR1 (0.62) ESR1ESR2ABHD6
SCHEMBL1095106 0.73 HTR2C (0.51) ESR1ESR2DRD1DRD5HTR2A
SCHEMBL15849166 0.72 ESR1 (0.41) ESR1ESR2DRD1DRD5DRD2
SCHEMBL1095978 0.71 ESR1 (0.42) ESR1ESR2DRD1DRD2HSD17B10
SCHEMBL1095022 0.71 ESR1 (0.45) ESR1ESR2DRD1DRD5DRD2

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 38 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-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
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
EP-1411881-A4 5HT sb 2C /sb RECEPTOR MODULATORS ARENA PHARM INC (US) 2004-07-07 EP disclosed
EP-1411881-A2 5HT sb 2C /sb RECEPTOR MODULATORS Arena Pharmaceuticals, Inc. (US) 2004-04-28 EP disclosed
US-20030225057-A1 3-Benzoazepine derivatives ARENA PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
WO-2003086306-A2 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. (US) 2003-10-23 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 (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 ESR1 1510/4885ESR2 848/4885DRD1 125/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B ESR1 2872/4885ESR2 1307/4885DRD1 234/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C ESR1 1112/4885ESR2 733/4885DRD1 314/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A ESR1 1578/4885ESR2 1476/4885DRD1 221/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885DRD1 404/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885DRD1 404/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885DRD1 404/4885

“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.