SCHEMBL3157101

SCHEMBL3157101

COc1ccc2c(c1OC)C(CN)C2

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.51
NQO2 P16083 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ACHE P22303 1/20 0.44
HTR1A P08908 3/20 0.43
ADRA1A P35348 1/20 0.39
HTR2C P28335 3/20 0.39
HTR2B P41595 3/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 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
SCHEMBL3288842 0.85 NQO2 (0.62) HTR2ANQO2MTNR1AMTNR1BHTR1A
Ammonia Solution, Strong SCHEMBL5712534 0.77 ACHE (0.45) NQO2MTNR1AMTNR1BACHEKDM4E
Arsenic SCHEMBL5712628 0.77 ACHE (0.45) NQO2MTNR1AMTNR1BACHEKDM4E
SCHEMBL8646170 0.77 ACHE (0.60) NQO2MTNR1AMTNR1BACHEADRA1A
SCHEMBL4687886 0.76 MTNR1A (0.63) HTR2ANQO2MTNR1AMTNR1BHTR1A
Bromide SCHEMBL5712634 0.76 ACHE (0.44) NQO2MTNR1AMTNR1BACHEKDM4E
Hydrochloric Acid SCHEMBL4688538 0.75 MTNR1A (0.62) HTR2ANQO2MTNR1AMTNR1BHTR1A
SCHEMBL24163289 0.75 HTR2A (0.58) HTR2AHTR1AADRA1AHTR2CHTR2B
SCHEMBL4251083 0.75 ACHE (0.46) NQO2MTNR1AMTNR1BACHEADRA1A
SCHEMBL4243156 0.75 ACHE (0.46) NQO2MTNR1AMTNR1BACHEADRA1A

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 HTR2A 223/4885NQO2 1600/4885MTNR1A 60/4885

“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.