SCHEMBL4663665

SCHEMBL4663665

CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)C#Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
ARRB1 P49407 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
DRD4 P21917 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL4663657 0.90 TRPA1 (0.36) OPRM1OPRK1OPRD1ARRB1
SCHEMBL4663384 0.83 OPRM1 (0.33) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4665387 0.82 SLC6A4 (0.44) OPRM1OPRK1OPRD1
SCHEMBL4663731 0.80 OPRM1 (0.36) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4664046 0.80 SMN1; SMN2 (0.48) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4663541 0.77 ALDH1A1 (0.39) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4665352 0.76 OPRM1 (0.35) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4665379 0.76 OPRK1 (0.42) ALDH1A1OPRM1OPRK1OPRD1SMN1; SMN2
SCHEMBL4665434 0.76 GMNN (0.39) OPRM1OPRK1OPRD1DRD4
SCHEMBL4663618 0.76 GMNN (0.39) OPRM1OPRK1OPRD1DRD4

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-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
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 ALDH1A1 2922/4885OPRM1 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.