SCHEMBL4664220

SCHEMBL4664220

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.48
OPRM1 P35372 15/20 0.44
OPRK1 P41145 10/20 0.44
HTR1A P08908 6/20 0.44
DRD2 P14416 6/20 0.44
DRD4 P21917 6/20 0.44
HTR2A P28223 6/20 0.44
HTR2C P28335 6/20 0.44
HTR7 P34969 6/20 0.44
HTR1D P28221 5/20 0.44
HRH2 P25021 5/20 0.44
HRH1 P35367 4/20 0.44
OPRD1 P41143 8/20 0.41
DRD3 P35462 5/20 0.41
HTR2B P41595 5/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A4 P31645 5/20 0.41
DRD1 P21728 4/20 0.41
DRD5 P21918 4/20 0.41
HTR6 P50406 4/20 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
SCHEMBL4663500 0.93 OPRM1 (0.42) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4665550 0.87 OPRM1 (0.41) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL7133737 0.86 SLC6A4 (0.42) OPRL1OPRM1OPRK1OPRD1SLC6A2
SCHEMBL4665406 0.86 OPRD1 (0.42) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL4665354 0.85 DRD2 (0.41) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL4663483 0.85 DRD2 (0.41) OPRM1OPRK1HTR1ADRD2DRD4
SCHEMBL4665356 0.84 OPRL1 (0.46) OPRL1OPRM1OPRK1HTR1ADRD2
SCHEMBL4663789 0.84 SMN1; SMN2 (0.41) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL4663525 0.84 OPRK1 (0.49) OPRM1OPRK1OPRD1SLC6A2SLC6A4
SCHEMBL4663645 0.84 OPRK1 (0.48) OPRL1OPRM1OPRK1OPRD1SLC6A2

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-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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO 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 OPRL1 9/4885OPRM1 5/4885OPRK1 6/4885

“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.