SCHEMBL4244596

SCHEMBL4244596

COc1cc2c(cc1OC)[C@@H](CCCN)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
KCNN2 Q9H2S1 4/20 0.42
KCNN3 Q9UGI6 4/20 0.42
KCNN1 Q92952 2/20 0.42
NQO2 P16083 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
DRD3 P35462 1/20 0.40
KCNH2 Q12809 1/20 0.40
HCN4 Q9Y3Q4 1/20 0.40
CYP3A4 P08684 1/20 0.38
MAPT P10636 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
SCHEMBL537790 0.90 NQO2 (0.43) ABCB1KCNN2KCNN3KCNN1NQO2
SCHEMBL3143094 0.90 NQO2 (0.43) ABCB1KCNN2KCNN3KCNN1NQO2
SCHEMBL3162728 0.90 NQO2 (0.43) ABCB1KCNN2KCNN3KCNN1NQO2
Hydrochloric Acid SCHEMBL9427134 0.89 KCNN2 (0.42) ABCB1KCNN2KCNN3KCNN1NQO2
SCHEMBL7911834 0.83 CYP3A4 (0.43) NQO2MTNR1AMTNR1BCHRM2HTR1A
SCHEMBL31549 0.83 CYP3A4 (0.43) NQO2MTNR1AMTNR1BCHRM2HTR1A
SCHEMBL383341 0.83 CYP3A4 (0.43) NQO2MTNR1AMTNR1BCHRM2HTR1A
SCHEMBL7436614 0.83 CYP3A4 (0.43) NQO2MTNR1AMTNR1BCHRM2HTR1A
SCHEMBL31936524 0.83 CYP3A4 (0.43) NQO2MTNR1AMTNR1BCHRM2HTR1A
Hydrochloric Acid SCHEMBL9427970 0.81 MAOA (0.42) KCNN2KCNN3KCNN1NQO2MTNR1A

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 ABCB1 355/4885KCNN2 827/4885KCNN3 737/4885

“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.