SCHEMBL4117548

SCHEMBL4117548

NC1C(=O)N(Cc2ccccc2)CCc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
DPP4 P27487 1/20 0.43
ACHE P22303 1/20 0.43
GRM5 P41594 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
ANPEP P15144 1/20 0.41

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
SCHEMBL4117310 1.00 SIGMAR1 (0.48) SIGMAR1GRIN1GRIN2BDDB1CRBN
SCHEMBL4128510 1.00 SIGMAR1 (0.48) SIGMAR1GRIN1GRIN2BDDB1CRBN
SCHEMBL4990212 0.85 ANPEP (0.47) DRD3KCNH2DPP4ACHEHPGD
SCHEMBL4121058 0.82 PRCP (0.46) ANPEP
SCHEMBL4116682 0.82 PRCP (0.46) ANPEP
SCHEMBL4120258 0.82 PRCP (0.46) ANPEP
SCHEMBL14170046 0.81 GRIN1 (0.46) SIGMAR1GRIN1GRIN2BDDB1CRBN
SCHEMBL4552272 0.79 PRCP (0.49) SIGMAR1ANPEP
SCHEMBL4969263 0.79 PRCP (0.49) SIGMAR1ANPEP
SCHEMBL4121598 0.75 ANPEP (0.45) DDB1CRBNDPP4HPGDANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258302-B2 Method for producing benzazepinone API CORPORATION (JP) 2012-09-04 US disclosed
US-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE API CORPORATION (JP) 2009-07-02 US disclosed
EP-1985615-A1 METHOD FOR PRODUCING BENZAZEPINONE API Corporation (JP) 2008-10-29 EP 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-20090171090-A1 METHOD FOR PRODUCING BENZAZEPINONE NISCH, GABBR1, GABBR2 SIGMAR1 2243/4885GRIN1 887/4885GRIN2B 446/4885

“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.