SCHEMBL768608

SCHEMBL768608

CNCCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 16/20 0.53
PRMT6 Q96LA8 16/20 0.53
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.45

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
SCHEMBL768102 0.84 OPRM1 (0.41) CARM1PRMT6OPRM1OPRD1
SCHEMBL28896790 0.82 CHRM2 (0.60) OPRM1
SCHEMBL769141 0.78 MCHR1 (0.44) CARM1PRMT6OPRM1OPRD1
SCHEMBL768110 0.77 OPRD1 (0.44) CARM1PRMT6OPRM1OPRD1
SCHEMBL768952 0.77 OPRM1 (0.44) OPRM1OPRD1
SCHEMBL769137 0.76 OPRD1 (0.43) OPRM1OPRD1
SCHEMBL767766 0.76 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL768532 0.76 OPRM1 (0.43) OPRM1OPRD1
SCHEMBL769193 0.75 POLB (0.41) OPRM1OPRD1
SCHEMBL768888 0.75 MCHR1 (0.44) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071467-A1 AMIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US 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-20120071467-A1 AMIDE DERIVATIVE CHRM3, CHRM2, TACR2 CARM1 1411/4885PRMT6 1142/4885OPRM1 15/4885

“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.