SCHEMBL4127633

SCHEMBL4127633

CO/N=C1\C(=O)N(C)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GRM5 P41594 1/20 0.41
DRD3 P35462 5/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 3/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
DRD4 P21917 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 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
SCHEMBL4127636 1.00 MEN1 (0.43) MEN1KMT2AGRM5DRD3HTR2A
SCHEMBL4121819 0.83 GRM5 (0.43) MEN1KMT2AGRM5DRD3HTR2A
SCHEMBL4121817 0.83 GRM5 (0.43) MEN1KMT2AGRM5DRD3HTR2A
SCHEMBL4109746 0.82 GRM5 (0.43) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL4109748 0.82 GRM5 (0.43) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL4130789 0.81 GRM5 (0.42) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL4130787 0.81 GRM5 (0.42) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL4130794 0.81 GRM5 (0.42) MEN1KMT2AGRM5HTR2AHTR2C
SCHEMBL4117332 0.79 GRM5 (0.41) MEN1KMT2AGRM5DRD3HTR2A
SCHEMBL4117337 0.79 GRM5 (0.41) MEN1KMT2AGRM5DRD3HTR2A

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 MEN1 1559/4885KMT2A 1792/4885GRM5 1154/4885

“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.