SCHEMBL682318

SCHEMBL682318

CN(C)C1(c2ccccc2)CCC2(CC1)NC(COC=O)Cc1c2[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.72
OGFRL1 Q5TC84 11/20 0.66
OPRL1 P41146 7/20 0.54
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.43

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
SCHEMBL682316 0.84 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1304263 0.84 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL682569 0.80 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL12045019 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL1305281 0.78 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL1304968 0.77 OPRM1 (0.80) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL1304000 0.73 OPRM1 (0.75) OPRM1OGFRL1OPRL1OPRD1OPRK1
Citric Acid SCHEMBL1303948 0.72 OPRM1 (0.82) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL10038853 0.71 OPRM1 (1.00) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL517133 0.71 OPRM1 (1.00) 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 4 patents. 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
US-20140303125-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2014-10-09 US disclosed
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US disclosed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 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 (3 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-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885
US-20140303125-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency TACR2, OPRK1, OPRD1 OPRM1 8/4885OGFRL1 307/4885OPRL1 12/4885
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.