SCHEMBL4665337

SCHEMBL4665337

CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)Cc1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.38
OPRM1 P35372 4/20 0.38
OPRD1 P41143 3/20 0.38
HDAC4 P56524 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
OPRL1 P41146 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 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
SCHEMBL4664084 0.92 OPRD1 (0.40) OPRK1OPRM1OPRD1HDAC4OPRL1
SCHEMBL4663366 0.90 HDAC4 (0.40) OPRK1OPRM1OPRD1HDAC4OPRL1
SCHEMBL4663390 0.88 OPRM1 (0.45) OPRM1HDAC4OPRL1
SCHEMBL4665459 0.87 OPRM1 (0.43) OPRK1OPRM1OPRD1OPRL1CARM1
SCHEMBL4665507 0.84 SMN1; SMN2 (0.51) OPRK1OPRM1OPRD1SMN1; SMN2TDP1
SCHEMBL4663389 0.84 SMN1; SMN2 (0.39) OPRK1OPRM1OPRD1SMN1; SMN2TDP1
SCHEMBL4665454 0.82 OPRM1 (0.50) OPRK1OPRM1OPRD1SMN1; SMN2OPRL1
SCHEMBL4663915 0.81 OPRM1 (0.43) OPRM1HDAC4OPRL1
SCHEMBL4663874 0.80 HDAC4 (0.36) OPRK1OPRM1OPRD1HDAC4OPRL1
SCHEMBL4663463 0.80 SLC6A2 (0.46) OPRK1OPRM1OPRD1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP claimed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US claimed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 US claimed
EP-1571140-B1 C-substituted cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2008-11-12 EP disclosed
US-7273952-B2 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2007-09-25 US disclosed
EP-1368299-B1 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2006-07-26 EP disclosed
EP-1571140-A1 C-substituted cyclohexylmethylamine derivatives Grünenthal GmbH (DE) 2005-09-07 EP disclosed
US-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives GRUENENTHAL GMBH (DE) 2003-12-18 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT OPRK1 6/4885OPRM1 5/4885OPRD1 25/4885

“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.