SCHEMBL2200959

SCHEMBL2200959

COc1cc2c(cc1C(F)(F)C(F)(F)F)C(C)CN(C)CC2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2A P28223 3/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
DRD1 P21728 3/20 0.44
DRD5 P21918 3/20 0.44
MAOA P21397 3/20 0.44
MAOB P27338 2/20 0.42
SLC6A4 P31645 1/20 0.42
BRD4 O60885 2/20 0.41
KCNN2 Q9H2S1 3/20 0.39
KCNN3 Q9UGI6 3/20 0.39
KCNN1 Q92952 1/20 0.39

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
SCHEMBL2201182 0.90 HTR2A (0.60) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL2199774 0.79 HTR2A (0.58) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL13679033 0.79 CYP3A4 (0.53) CYP3A4CYP2D6DRD1DRD5MAOA
SCHEMBL1096838 0.79 HTR2C (0.58) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL6298614 0.79 HTR2A (0.58) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL1901665 0.79 HTR2C (0.58) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL1096839 0.79 HTR2C (0.58) CYP3A4CYP2D6HTR2AHTR2CHTR2B
SCHEMBL1095615 0.76 HTR2C (0.80) HTR2AHTR2CHTR2B
SCHEMBL1095614 0.76 HTR2C (0.80) HTR2AHTR2CHTR2B
SCHEMBL1902950 0.76 HTR2C (0.80) HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20130217676-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-08-22 US disclosed
US-20130012495-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 US disclosed
US-20130012498-A1 5HT2C RECEPTOR MODULATORS ARENA PHARMACEUTICALS, INC. 2013-01-10 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 (9 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 CYP3A4 155/4885CYP2D6 197/4885HTR2A 13/4885
US-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B CYP3A4 299/4885CYP2D6 444/4885HTR2A 7/4885
US-20070060568-A1 Obesity therapy; using 3-benzoazepine compound HTR2C, HTR3B, HTR3C CYP3A4 258/4885CYP2D6 358/4885HTR2A 8/4885
US-20130217676-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885
US-20130012495-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885
US-20160024014-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885
US-20150045552-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885
US-20130012498-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885
US-20160250223-A1 5HT2C RECEPTOR MODULATORS HTR2C, HTR2A, HTR1A CYP3A4 537/4885CYP2D6 435/4885HTR2A 2/4885

“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.