SCHEMBL768102

SCHEMBL768102

CNCCCCCC(=O)N(C)CCN1CCC(N(C(=O)O)c2ccccc2-c2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.41
OPRD1 P41143 3/20 0.39
SLC2A1 P11166 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA13 Q8N1Q1 2/20 0.39
CA14 Q9ULX7 2/20 0.39
MCHR1 Q99705 1/20 0.39
CARM1 Q86X55 2/20 0.39
PRMT6 Q96LA8 2/20 0.39
KDM1A O60341 1/20 0.38

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 0.91 OPRM1 (0.43) OPRM1OPRD1CA12CA1CA2
SCHEMBL768532 0.91 OPRM1 (0.43) OPRM1OPRD1CA12CA1CA2
SCHEMBL768952 0.90 OPRM1 (0.44) OPRM1OPRD1CA12CA1CA2
SCHEMBL768888 0.89 MCHR1 (0.44) OPRM1SLC2A1MCHR1
SCHEMBL769263 0.89 MCHR1 (0.44) OPRM1SLC2A1MCHR1
SCHEMBL768639 0.89 OPRD1 (0.44) OPRM1OPRD1CA12CA1CA2
SCHEMBL768742 0.89 CA12 (0.40) OPRM1OPRD1SLC2A1CA12CA1
Hydrochloric Acid SCHEMBL768804 0.88 OPRD1 (0.43) OPRM1OPRD1CA12CA1CA2
Hydrochloric Acid SCHEMBL768545 0.88 CHRM4 (0.41) OPRD1
SCHEMBL768707 0.88 MCHR1 (0.44) OPRM1OPRD1SLC2A1MCHR1

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 56/4885SLC2A1 1942/4885

“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.