SCHEMBL3144553

SCHEMBL3144553

COc1cccc2c1CC2C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.44
ACHE P22303 2/20 0.44
PIN1 Q13526 1/20 0.43
MTNR1A P48039 5/20 0.43
MTNR1B P49286 5/20 0.43
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
HTR2A P28223 1/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ADRA1A P35348 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
NOTUM Q6P988 1/20 0.40
POLL Q9UGP5 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL20478637 0.84 PIN1 (0.51) ACHEPIN1MTNR1AMTNR1BDRD2
SCHEMBL5520518 0.82 CA1 (0.55) PIN1CA1CA2
SCHEMBL4250506 0.79 DHFR (0.48) MTNR1AMTNR1BCA1CA2CA12
SCHEMBL9791959 0.77 AGTR2 (0.46) MAPT
SCHEMBL17335583 0.75 HTR2A (0.40) AADATACHEPIN1MTNR1AMTNR1B
SCHEMBL28069849 0.74 PIN1 (0.54) ACHEPIN1MTNR1AMTNR1BDRD2
SCHEMBL24650846 0.74 AADAT (0.45) AADATACHEMTNR1AMTNR1BDRD2
SCHEMBL1847083 0.73 PIN1 (0.52) PIN1MTNR1AMTNR1BDRD2DRD3
SCHEMBL20478665 0.73 PIN1 (0.52) PIN1MTNR1AMTNR1BDRD2DRD3
SCHEMBL24650789 0.73 AADAT (0.44) AADATACHEMTNR1AMTNR1BDRD2

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 4 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
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 AADAT 3210/4885ACHE 2167/4885PIN1 4302/4885

“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.