SCHEMBL4663704

SCHEMBL4663704

CN(C)CC1CC(Cc2ccccc2)CCC1(O)c1ccc(F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 13/20 0.43
OPRD1 P41143 9/20 0.42
OPRM1 P35372 8/20 0.42
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC22A1 O15245 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
ARRB1 P49407 1/20 0.38

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
SCHEMBL4663535 0.90 OPRK1 (0.42) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4665499 0.84 ALDH1A1 (0.46) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663493 0.84 OPRK1 (0.47) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL8024618 0.84 OPRK1 (0.61) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4665334 0.84 ALDH1A1 (0.48) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663675 0.83 OPRK1 (0.41) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663502 0.83 OPRK1 (0.41) OPRK1OPRD1OPRM1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8614236 0.83 OPRK1 (0.60) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663490 0.82 OPRM1 (0.46) OPRK1OPRD1OPRM1SLC6A2SLC6A4
SCHEMBL4663643 0.82 OPRK1 (0.41) OPRK1OPRD1OPRM1SLC6A2SLC6A4

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 6/4885OPRD1 25/4885OPRM1 5/4885

“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.