SCHEMBL1327481

SCHEMBL1327481

CN(C)C(c1cccc(F)c1)C1CCC(O)(CCc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.44
OPRL1 P41146 9/20 0.44
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GRIN2B Q13224 2/20 0.38
CCR5 P51681 1/20 0.38
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL1327535 0.89 OPRL1 (0.41) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL1326597 0.83 OPRM1 (0.42) OPRM1OPRL1OPRD1OPRK1SLC6A4
SCHEMBL1328347 0.81 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1MEN1
SCHEMBL1327810 0.79 GRIN2B (0.43) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL2308501 0.76 OPRL1 (0.49) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL2307072 0.76 OPRL1 (0.41) OPRM1OPRL1OPRD1OPRK1GRIN2B
Hydrochloric Acid SCHEMBL1328299 0.75 OPRL1 (0.51) OPRM1OPRL1OPRD1OPRK1GRIN2B
Hydrochloric Acid SCHEMBL1326670 0.75 OPRL1 (0.43) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL1326796 0.73 OPRL1 (0.38) OPRM1OPRL1OPRD1OPRK1GRIN2B
SCHEMBL1326919 0.73 SLC6A4 (0.45) OPRM1OPRL1SLC6A4SLC6A2KDR

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 238/4885OPRD1 129/4885

“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.