SCHEMBL1120041

SCHEMBL1120041

Cc1c(C2(c3cccs3)CCC(c3cccc(F)c3)(N(C)C)CC2)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 20/20 0.66
OPRL1 P41146 14/20 0.66
OGFRL1 Q5TC84 9/20 0.54
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41

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
SCHEMBL1119615 0.89 OPRM1 (0.70) OPRM1OPRL1OGFRL1OPRD1OPRK1
Citric Acid SCHEMBL2198497 0.88 OPRM1 (0.54) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL16673308 0.85 OPRM1 (0.54) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3407050 0.85 OPRM1 (0.80) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411311 0.81 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL15642831 0.81 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3406064 0.80 OPRM1 (1.00) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411382 0.78 OPRM1 (0.77) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3411645 0.77 OPRM1 (0.74) OPRM1OPRL1OGFRL1OPRD1OPRK1
SCHEMBL3413563 0.77 OPRM1 (0.80) OPRM1OPRL1OGFRL1OPRD1OPRK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2280941-B1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2015-05-06 EP claimed
US-7977370-B2 (Hetero)aryl cyclohexane derivatives GRUENENTHAL GMBH (DE) 2011-07-12 US claimed
EP-2280941-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2011-02-09 EP claimed
WO-2009118163-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO claimed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 US claimed
EP-2280941-B1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES GRUENENTHAL GMBH (DE) 2015-05-06 EP disclosed
US-7977370-B2 (Hetero)aryl cyclohexane derivatives GRUENENTHAL GMBH (DE) 2011-07-12 US disclosed
EP-2280941-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2011-02-09 EP disclosed
WO-2009118163-A1 (HETERO-)ARYL CYCLOHEXANE DERIVATIVES Grünenthal GmbH (DE) 2009-10-01 WO disclosed
US-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES GRUNENTHAL GMBH (DE) 2009-10-01 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-20090247573-A1 (HETERO)ARYL CYCLOHEXANE DERIVATIVES OPRL1, OPRM1, OPRD1 OPRM1 2/4885OPRL1 1/4885OGFRL1 5/4885

“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.