SCHEMBL4130800

SCHEMBL4130800

O=C1C(=NO)c2ccccc2CCN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
GRM5 P41594 1/20 0.49
DHPS P49366 1/20 0.46
SIGMAR1 Q99720 4/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL4130797 1.00 ACHE (0.49) ACHEGRM5DHPSSIGMAR1DRD2
SCHEMBL29657194 0.84 GRM5 (0.64) ACHEGRM5DHPSSIGMAR1DRD2
SCHEMBL4116833 0.83 NPC1 (0.43) ACHEDRD2ALDH1A1MAPTMEN1
SCHEMBL4116828 0.83 NPC1 (0.43) ACHEDRD2ALDH1A1MAPTMEN1
SCHEMBL9305095 0.83 DDB1 (0.49) GRM5DHPSDDB1CRBNMEN1
SCHEMBL9305088 0.83 DDB1 (0.49) GRM5DHPSDDB1CRBNMEN1
SCHEMBL9306554 0.82 DDB1 (0.48) GRM5DHPSDDB1CRBNMEN1
SCHEMBL9306550 0.82 DDB1 (0.48) GRM5DHPSDDB1CRBNMEN1
SCHEMBL4116684 0.76 BCAT2 (0.53) DDB1CRBNALDH1A1MAPTKDM4E
SCHEMBL31667202 0.76 GRM5 (0.52) ACHEGRM5DHPSSIGMAR1DRD2

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 ACHE 979/4885GRM5 1154/4885DHPS 192/4885

“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.