SCHEMBL3163151

SCHEMBL3163151

COc1cc2c(cc1C)C(CN)C2

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
HTR2A P28223 6/20 0.40
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CHRM2 P08172 1/20 0.36
HTR1A P08908 1/20 0.36
SLC6A4 P31645 1/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
HCN4 Q9Y3Q4 1/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36

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
SCHEMBL15180378 1.00 TAAR1 (0.41) TAAR1HTR2ANQO2MTNR1AMTNR1B
SCHEMBL15158458 0.93 NQO2 (0.41) TAAR1HTR2ANQO2MTNR1AMTNR1B
SCHEMBL4246217 0.93 NQO2 (0.41) TAAR1HTR2ANQO2MTNR1AMTNR1B
SCHEMBL383341 0.88 CYP3A4 (0.43) HTR2ANQO2MTNR1AMTNR1BCHRM2
SCHEMBL7436614 0.88 CYP3A4 (0.43) HTR2ANQO2MTNR1AMTNR1BCHRM2
SCHEMBL31549 0.88 CYP3A4 (0.43) HTR2ANQO2MTNR1AMTNR1BCHRM2
SCHEMBL7911834 0.88 CYP3A4 (0.43) HTR2ANQO2MTNR1AMTNR1BCHRM2
SCHEMBL31936524 0.88 CYP3A4 (0.43) HTR2ANQO2MTNR1AMTNR1BCHRM2
SCHEMBL4746611 0.87 TAAR1 (0.42) TAAR1NQO2MTNR1AMTNR1BCHRM2
SCHEMBL4746590 0.87 TAAR1 (0.42) TAAR1NQO2MTNR1AMTNR1BCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076325-B2 1,2,4,5-tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2011-12-13 US disclosed
EP-2036892-B1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2010-03-10 EP disclosed
WO-2009066041-A2 DERIVATIVES OF 1,2,4,5-TETRAHYDRO-3H-BENZAZEPINES, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2009-05-28 WO disclosed
EP-2036892-A1 1,2,4,5-tetrahydro-3H-benzazepine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2009-03-18 EP disclosed
US-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2009-03-12 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 (1 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-20090069296-A1 1,2,4,5-Tetrahydro-3H-benzazepine compounds, a process for their preparation and pharmaceutical compositions containing them OXER1, NR1H3, OXSR1 TAAR1 279/4885HTR2A 223/4885NQO2 1600/4885

“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.