SCHEMBL768110

SCHEMBL768110

CNCc1cccc(C(=O)N(C)CCN2CCC(N(C(=O)O)c3ccccc3-c3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.44
CHRM2 P08172 5/20 0.44
ACHE P22303 1/20 0.43
OPRM1 P35372 4/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
OPRK1 P41145 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CHRM3 P20309 4/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
PRMT8 Q9NR22 1/20 0.39

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
SCHEMBL768817 0.84 CHRM2 (0.42) OPRD1CHRM2ACHEOPRM1ADRA1A
SCHEMBL28521333 0.81 CHRM2 (0.51) OPRD1CHRM2ACHEOPRM1ADRA1A
SCHEMBL28524727 0.81 CHRM2 (0.53) OPRD1CHRM2ACHEOPRM1ADRA1A
SCHEMBL768111 0.81 CHRM2 (0.43) OPRD1CHRM2ACHECHRM3CARM1
SCHEMBL381835 0.80 CHRM2 (0.66) CHRM2CHRM3
SCHEMBL28524774 0.78 CHRM2 (0.68) OPRD1CHRM2ACHEOPRM1CHRM3
SCHEMBL768608 0.77 CARM1 (0.53) OPRD1OPRM1CARM1PRMT6
SCHEMBL768102 0.77 OPRM1 (0.41) OPRD1OPRM1CARM1PRMT6
SCHEMBL769141 0.76 MCHR1 (0.44) OPRD1CHRM2ACHEOPRM1CHRM3
SCHEMBL768952 0.75 OPRM1 (0.44) OPRD1OPRM1ADRA1AADRA1BOPRK1

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 OPRD1 56/4885CHRM2 2/4885ACHE 687/4885

“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.