SCHEMBL4272149

SCHEMBL4272149

CN(CC(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
OPRM1 P35372 2/20 0.44
OPRD1 P41143 2/20 0.44
MAOB P27338 1/20 0.43
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
OPRL1 P41146 1/20 0.41
NR4A2 P43354 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGIR P43119 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
SRC P12931 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
SCHEMBL11588776 0.82 GAA (0.50) MAOBGAAGABBR2GABBR1
SCHEMBL10620750 0.82 ALDH1A1 (0.51) MAOBHTR2AHRH1CYP2D6
SCHEMBL11797661 0.79 TRPM8 (0.47) MEN1KMT2AOPRM1MAOBHTR2A
SCHEMBL11671946 0.79 SRC (0.43) MEN1KMT2AOPRD1TDP1CYP2D6
SCHEMBL9853018 0.79 MMP8 (0.45) MEN1KMT2AOPRM1OPRD1CYP2D6
SCHEMBL10788440 0.78 KDM4E (0.59) GAA
SCHEMBL16153014 0.76 OPRD1 (0.41) MEN1KMT2AOPRD1CYP2D6GAA
SCHEMBL29069788 0.76 ATM (0.43) MEN1KMT2ACYP2D6GABBR2GABBR1
SCHEMBL9574998 0.74 DAGLA (0.45) MEN1KMT2ASRC
SCHEMBL8585165 0.74 HTR2A (0.48) MEN1KMT2AOPRM1OPRD1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745413-B2 Collection of traceable compounds and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-29 US disclosed
US-7745413-B2 Collection of traceable compounds and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-06-29 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
US-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2009-09-03 US disclosed
EP-1976841-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Neuromed Pharmaceuticals, Ltd. (CA) 2008-10-08 EP disclosed
US-20080176763-A1 Collection of Traceable Compounds and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-07-24 US disclosed
US-20080176763-A1 Collection of Traceable Compounds and Uses Thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-07-24 US disclosed
EP-1756119-B1 COLLECTION OF TRACEABLE COMPOUNDS AND USES THEREOF CENTRE NAT RECH SCIENT (FR) 2007-10-10 EP disclosed
US-7244546-B2 Planographic printing method and planographic printing plate precursor used therein FUJIFILM CORPORATION (JP) 2007-07-17 US disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO disclosed
WO-2007071035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS NEUROMED PHARMACEUTICALS LTD. (CA) 2007-06-28 WO disclosed
EP-0441226-A1 (cyanomethyl)pyridines useful as PAF antagonists J. URIACH & CIA. S.A. (ES) 1991-08-14 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-20090221603-A1 HETEROCYCLIC AMIDE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS RYR2, CACNA1E, RYR1 MEN1 3119/4885KMT2A 2235/4885OPRM1 380/4885

“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.