SCHEMBL4663777

SCHEMBL4663777

CN(C)CC1CC(OCc2ccccc2)CCC1(O)c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.45
OPRM1 P35372 8/20 0.43
OPRL1 P41146 2/20 0.43
OPRD1 P41143 8/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC22A1 O15245 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
SLC6A3 Q01959 2/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4663490 0.91 OPRM1 (0.46) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4665358 0.91 SLC6A4 (0.46) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4663540 0.90 OPRM1 (0.44) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4663544 0.88 OPRM1 (0.48) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4665560 0.88 OPRM1 (0.44) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4663862 0.88 OPRM1 (0.44) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4665546 0.87 OPRK1 (0.55) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4664129 0.87 OPRM1 (0.47) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4665390 0.87 OPRK1 (0.44) OPRK1OPRM1OPRL1OPRD1SLC6A4
SCHEMBL4663430 0.87 OPRM1 (0.43) OPRK1OPRM1OPRL1OPRD1SLC6A4

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 9 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-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
EP-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 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-20030232891-A1 Substituted C-cyclohexylmethylamine derivatives CNR2, CNR1, HNMT OPRK1 6/4885OPRM1 5/4885OPRL1 9/4885

“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.