SCHEMBL768817

SCHEMBL768817

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)c1cccc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
OPRM1 P35372 4/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
CHRM3 P20309 2/20 0.38
MCHR1 Q99705 1/20 0.38
CCR5 P51681 1/20 0.38
DRD4 P21917 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
TACR2 P21452 1/20 0.37

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
SCHEMBL768110 0.84 OPRD1 (0.44) CHRM2OPRM1OPRD1OPRK1ACHE
SCHEMBL28524727 0.81 CHRM2 (0.53) CHRM2OPRM1OPRD1OPRK1ACHE
SCHEMBL28521333 0.81 CHRM2 (0.51) CHRM2OPRM1OPRD1OPRK1ACHE
SCHEMBL768818 0.80 CHRM2 (0.42) CHRM2OPRM1OPRD1OPRK1ACHE
SCHEMBL266338 0.79 CHRM2 (0.65) CHRM2CHRM3
SCHEMBL769137 0.79 OPRD1 (0.43) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL28136567 0.78 CHRM2 (0.39) CHRM2OPRM1OPRD1OPRK1ACHE
SCHEMBL28524774 0.78 CHRM2 (0.68) CHRM2OPRM1OPRD1ACHECHRM3
SCHEMBL768618 0.77 OPRM1 (0.41) OPRM1OPRD1OPRK1ADRA1AADRA1B
SCHEMBL768952 0.76 OPRM1 (0.44) OPRM1OPRD1OPRK1ADRA1AADRA1B

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 CHRM2 2/4885OPRM1 15/4885OPRD1 56/4885

“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.