SCHEMBL4127623

SCHEMBL4127623

N[C@@H]1C(=O)NCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.50
GAA P10253 3/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
HTR2A P28223 2/20 0.47
AGTR1 P30556 1/20 0.46
PDPK1 O15530 1/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
PRCP P42785 5/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MAPT P10636 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
SCHEMBL4108357 1.00 ANPEP (0.50) ANPEPGAALMNATP53HPGD
SCHEMBL4117416 1.00 ANPEP (0.50) ANPEPGAALMNATP53HPGD
SCHEMBL4992475 0.81 ANPEP (0.53) ANPEPHTR2A
Bromide SCHEMBL30630619 0.80 ANPEP (0.52) ANPEPHTR2A
Bromide SCHEMBL4989971 0.80 ANPEP (0.52) ANPEPHTR2A
SCHEMBL9732856 0.79 GAA (0.67) GAALMNATP53HPGDALOX12
SCHEMBL2275422 0.79 HTR2A (0.50) GAALMNATP53HPGDALOX12
SCHEMBL17457429 0.76 GID4 (0.44) GAALMNATP53HPGDALOX12
SCHEMBL8367481 0.75 HTR2A (0.43) GAALMNATP53HPGDALOX12
SCHEMBL14178994 0.75 PDPK1 (0.45) GAALMNATP53HPGDALOX12

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 ANPEP 709/4885GAA 682/4885LMNA 1030/4885

“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.