SCHEMBL18065745

SCHEMBL18065745

CC1(c2cccs2)CCC2(OCCc3c2[nH]c2ccc(F)cc32)C(N)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.46
OGFRL1 Q5TC84 11/20 0.46
OPRL1 P41146 7/20 0.46
OPRD1 P41143 3/20 0.46
OPRK1 P41145 3/20 0.46
HTR2C P28335 2/20 0.38
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32

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
SCHEMBL18065746 0.88 OPRM1 (0.42) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436154 0.82 OPRM1 (0.54) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL681595 0.76 OPRM1 (0.74) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436870 0.76 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2435791 0.75 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682350 0.75 OPRM1 (0.73) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437458 0.73 OPRM1 (0.58) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2436988 0.73 OPRM1 (0.55) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2435835 0.70 OPRM1 (0.70) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL2437902 0.68 OPRM1 (0.70) OPRM1OGFRL1OPRL1OPRD1OPRK1

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-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2016-09-22 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-20160271107-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885

“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.