SCHEMBL4663505

SCHEMBL4663505

CN(C)CC1CC(CCc2ccccc2)CCC1(O)c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
OPRK1 P41145 13/20 0.53
OPRM1 P35372 8/20 0.47
OPRD1 P41143 8/20 0.47
ARRB1 P49407 2/20 0.47
SLC6A2 P23975 4/20 0.45
SLC6A4 P31645 4/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC22A1 O15245 2/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4665490 0.92 OPRK1 (0.45) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL8026775 0.89 OPRK1 (0.59) OPRK1OPRM1OPRD1ARRB1SLC6A2
SCHEMBL4663938 0.89 OPRK1 (0.46) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4663951 0.89 SMN1; SMN2 (0.44) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4665534 0.88 OPRK1 (0.46) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4664067 0.88 OPRK1 (0.47) SMN1; SMN2OPRK1OPRM1OPRD1ARRB1
SCHEMBL4663891 0.88 OPRK1 (0.44) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
Hydrochloric Acid SCHEMBL8610658 0.88 OPRK1 (0.58) OPRK1OPRM1OPRD1ARRB1SLC6A2
SCHEMBL8025129 0.86 OPRK1 (0.61) OPRK1OPRM1OPRD1SLC6A2SLC6A4
SCHEMBL8026307 0.86 OPRK1 (0.44) SMN1; SMN2TDP1OPRK1OPRM1OPRD1

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 11 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-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 SMN1; SMN2 1044/4885TDP1 3914/4885OPRK1 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.