SCHEMBL1328131

SCHEMBL1328131

CN(C)C(c1ccc(Cl)cc1)C1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
OPRL1 P41146 6/20 0.50
OPRK1 P41145 5/20 0.50
OPRD1 P41143 4/20 0.50
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GRIN2B Q13224 1/20 0.41
CCR1 P32246 2/20 0.40
CCR3 P51677 1/20 0.40
BCL2A1 Q16548 1/20 0.39

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
SCHEMBL1327495 0.88 OPRM1 (0.41) OPRM1OPRL1OPRK1OPRD1CCR1
SCHEMBL1327611 0.87 DRD2 (0.46) CCR1
SCHEMBL1328077 0.86 OPRM1 (0.43) OPRM1OPRL1OPRK1OPRD1CNR1
SCHEMBL1326543 0.84 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1GRIN2B
SCHEMBL2308112 0.84 BCL2A1 (0.37) OPRM1OPRL1OPRK1OPRD1CNR1
SCHEMBL1327185 0.84 OPRM1 (0.42) OPRM1OPRL1OPRK1OPRD1GRIN2B
SCHEMBL1327110 0.81 OPRL1 (0.44) OPRM1OPRL1OPRK1OPRD1GRIN2B
SCHEMBL1327496 0.81 BCL2A1 (0.35) OPRM1OPRL1OPRK1OPRD1CCR1
SCHEMBL1328347 0.79 OPRM1 (0.47) OPRM1OPRL1OPRK1OPRD1GRIN2B
SCHEMBL1327199 0.77 OPRL1 (0.36) OPRM1OPRL1OPRK1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
JP-2009520720-A 2009-05-28 JP claimed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP claimed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US disclosed
EP-1989174-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2008-11-12 EP disclosed
WO-2007079930-A1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES Grünenthal GmbH (DE) 2007-07-19 WO 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R OPRM1 57/4885OPRL1 238/4885OPRK1 37/4885

“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.