SCHEMBL4247917

SCHEMBL4247917

COc1cc2c(cc1C)CC2C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.37
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 1/20 0.34
NQO2 P16083 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
DRD2 P14416 2/20 0.32
DRD1 P21728 2/20 0.32
RAD52 P43351 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
MAOA P21397 1/20 0.32
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL15158554 1.00 HTR2A (0.37) HTR2AMAPK1CYP3A4CYP2C19NQO2
SCHEMBL15158556 1.00 HTR2A (0.37) HTR2AMAPK1CYP3A4CYP2C19NQO2
SCHEMBL13428645 0.93 MAPT (0.35) HTR2AMAPK1CYP3A4CYP2C19DRD2
SCHEMBL13428637 0.93 MAPT (0.35) HTR2AMAPK1CYP3A4CYP2C19DRD2
SCHEMBL3155023 0.93 MAPT (0.35) HTR2AMAPK1CYP3A4CYP2C19DRD2
SCHEMBL29693809 0.88 CYP3A4 (0.43) MAPK1CYP3A4DRD2DRD1RAD52
SCHEMBL13428611 0.88 CYP3A4 (0.43) MAPK1CYP3A4DRD2DRD1RAD52
SCHEMBL7431595 0.88 CYP3A4 (0.43) MAPK1CYP3A4DRD2DRD1RAD52
SCHEMBL333286 0.88 CYP3A4 (0.43) MAPK1CYP3A4DRD2DRD1RAD52
SCHEMBL2776426 0.84 NQO2 (0.43) HTR2ANQO2MTNR1AMTNR1BALDH1A1

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 2 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
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 223/4885MAPK1 1623/4885CYP3A4 28/4885

“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.