SCHEMBL768532

SCHEMBL768532

CN(CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1)C(=O)CCCCCCO

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.43
OPRD1 P41143 3/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MCHR1 Q99705 1/20 0.41
OPRK1 P41145 2/20 0.40
POLB P06746 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
SCHEMBL767766 1.00 OPRM1 (0.43) OPRM1OPRD1CA12CA1CA2
SCHEMBL768952 0.99 OPRM1 (0.44) OPRM1OPRD1CA12CA1CA2
SCHEMBL768639 0.93 OPRD1 (0.44) OPRM1OPRD1CA12CA1CA2
Hydrochloric Acid SCHEMBL768804 0.92 OPRD1 (0.43) OPRM1OPRD1CA12CA1CA2
SCHEMBL768102 0.91 OPRM1 (0.41) OPRM1OPRD1CA12CA1CA2
SCHEMBL768618 0.90 OPRM1 (0.41) OPRM1OPRD1CA12CA1CA2
SCHEMBL768742 0.87 CA12 (0.40) OPRM1OPRD1CA12CA1CA2
SCHEMBL768438 0.87 MCHR1 (0.44) OPRM1MCHR1
SCHEMBL768734 0.87 POLB (0.43) OPRM1POLB
SCHEMBL769137 0.86 OPRD1 (0.43) OPRM1OPRD1OPRK1POLB

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 OPRM1 15/4885OPRD1 56/4885CA12 1736/4885

“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.