SCHEMBL1095655

SCHEMBL1095655

CC1CN(C(=O)C(F)(F)F)CCc2cc(OCc3ccccc3)c(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
MTNR1B P49286 1/20 0.42
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
CHRNA7 P36544 2/20 0.40
LMNA P02545 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR183 P32249 1/20 0.39
GRIN1 Q05586 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
SCHEMBL15194348 0.89 HTR2A (0.47) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL1095640 0.86 HTR2A (0.51) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL4937824 0.83 GRIN1 (0.52) GRIN1GRIN2B
SCHEMBL4936397 0.83 HTR2C (0.48) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL4936392 0.83 HTR2C (0.48) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL1094838 0.83 HTR2C (0.48) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL1095117 0.83 HTR2A (0.38) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL1095106 0.80 HTR2C (0.51) HTR2AHTR2CMTNR1BESR1ESR2
SCHEMBL4938831 0.80 MTNR1B (0.48) MTNR1BESR1ESR2LMNAALDH1A1
Hydrochloric Acid SCHEMBL4937223 0.79 MTNR1B (0.48) MTNR1BESR1ESR2LMNAALDH1A1

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 40 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
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
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 (6 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 HTR2A 13/4885HTR2C 1/4885MTNR1B 46/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B HTR2A 7/4885HTR2C 1/4885MTNR1B 43/4885
US-20150087634-A1 5HT2C RECEPTOR MODULATOR COMPOSITIONS HTR2C, HTR2A, HTR5A HTR2A 2/4885HTR2C 1/4885MTNR1B 55/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885MTNR1B 42/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885MTNR1B 42/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A HTR2A 2/4885HTR2C 1/4885MTNR1B 42/4885

“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.