SCHEMBL1095121

SCHEMBL1095121

COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2CO

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
ABHD6 Q9BV23 1/20 0.47
DRD1 P21728 1/20 0.46
HSD11B1 P28845 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MTNR1B P49286 5/20 0.43
NQO2 P16083 4/20 0.43
MTNR1A P48039 4/20 0.43
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
PPARD Q03181 2/20 0.41

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
SCHEMBL1095554 0.91 ESR1 (0.61) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL1094365 0.87 ESR1 (0.47) ESR1ESR2ABHD6DRD1KDM4E
SCHEMBL14480254 0.86 MTNR1B (0.50) ESR1ESR2DRD1KDM4EALDH1A1
SCHEMBL1095538 0.85 ESR1 (0.65) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL4937667 0.85 ESR1 (0.65) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL4551326 0.84 ESR1 (0.53) ESR1ESR2ABHD6HSD11B1KDM4E
SCHEMBL1094619 0.83 ESR1 (0.62) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL1095164 0.82 ESR1 (0.61) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL6656989 0.81 ESR1 (0.60) ESR1ESR2ABHD6DRD1HSD11B1
SCHEMBL1095476 0.81 MTNR1B (0.43) ESR1ESR2DRD1LMNAMTNR1B

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 33 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-8546378-B2 5HT2C receptor modulator compositions and methods of use ARENA PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20130217676-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-08-22 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 (8 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 848/4885ABHD6 1065/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B ESR1 2872/4885ESR2 1307/4885ABHD6 893/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C ESR1 1112/4885ESR2 733/4885ABHD6 891/4885
US-20130217676-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885ABHD6 927/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A ESR1 1578/4885ESR2 1476/4885ABHD6 1303/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885ABHD6 927/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885ABHD6 927/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A ESR1 1469/4885ESR2 559/4885ABHD6 927/4885

“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.