SCHEMBL506269

SCHEMBL506269

COc1cccc(CC#N)c1CC#N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
IDO1 P14902 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CALM1 P0DP23 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL13904952 0.89 TSHR (0.38) NPC1RAB9ATHRBTSHRIDO1
SCHEMBL7332578 0.88 CA1 (0.44) NPC1RAB9ATHRBTSHRCA12
SCHEMBL8858519 0.84 IMPDH2 (0.47) TSHRIDO1TAAR1SMN1; SMN2MAPT
SCHEMBL31331829 0.84 IMPDH2 (0.47) TSHRIDO1TAAR1SMN1; SMN2MAPT
SCHEMBL198463 0.82 IDO1 (0.52) TSHRIDO1TAAR1CA12CA1
SCHEMBL4160051 0.81 SMN1; SMN2 (0.46) TSHRCA12CA1CA2CA14
SCHEMBL12683187 0.81 TSHR (0.40) NPC1RAB9ATHRBTSHRIDO1
SCHEMBL10605241 0.81 ALOX5 (0.52)
SCHEMBL23860831 0.80 POLB (0.45) TSHRHTR2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8405819 0.80 ALDH1A1 (0.48) NPC1RAB9ATHRBIDO1CA12

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
EP-1924578-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-05-28 EP disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0229510-B1 SULFINYL AND SULFONYL SUBSTITUTED-3-BENZAZEPINES SMITHKLINE BEECHAM CORPORATION (US) 1990-06-06 EP disclosed
US-4824839-A Sulfinyl and sulfonyl substituted 2,3,4,5 tetrahydro-1H-3-benzazepines and their use in treating gastrointestinal motility disorders SMITHKLINE BECKMAN CORPORATION (US) 1989-04-25 US disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP disclosed
US-4659706-A Sulfinyl and sulfonyl substituted 3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1987-04-21 US disclosed
EP-0103961-B1 ALLYLOXY- AND ALLYLTHIO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINES SMITHKLINE BECKMAN CORPORATION (US) 1986-04-02 EP disclosed
US-4469634-A Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1984-09-04 US disclosed
EP-0103961-A1 Allyloxy- and allylthio-2,3,4,5-tetrahydro-1H-3-benzazepines SMITHKLINE BECKMAN CORPORATION (US) 1984-03-28 EP 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 (3 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A NPC1 2434/4885RAB9A 1812/4885THRB 322/4885
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 NPC1 2664/4885RAB9A 3673/4885THRB 385/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NPC1 3189/4885RAB9A 1649/4885THRB 337/4885

“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.