SCHEMBL4665546

SCHEMBL4665546

CN(C)CC1CC(OCc2ccccc2)CCC1(O)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 12/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
OPRM1 P35372 8/20 0.48
OPRL1 P41146 2/20 0.48
OPRD1 P41143 7/20 0.48
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC22A1 O15245 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ARRB1 P49407 1/20 0.42
ALDH1A1 P00352 1/20 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
SCHEMBL4664129 0.92 OPRM1 (0.47) OPRK1SMN1; SMN2TDP1OPRM1OPRL1
SCHEMBL4665507 0.91 SMN1; SMN2 (0.51) OPRK1SMN1; SMN2TDP1OPRM1OPRD1
SCHEMBL8025136 0.90 OPRM1 (0.59) OPRK1OPRM1OPRL1OPRD1SLC6A2
SCHEMBL4663913 0.90 OPRM1 (0.56) OPRK1SMN1; SMN2OPRM1OPRL1OPRD1
SCHEMBL4663634 0.89 OPRM1 (0.49) OPRK1SMN1; SMN2OPRM1OPRL1OPRD1
Hydrochloric Acid SCHEMBL8615875 0.89 OPRK1 (0.58) OPRK1OPRM1OPRL1OPRD1SLC6A2
SCHEMBL4663544 0.89 OPRM1 (0.48) OPRK1SMN1; SMN2TDP1OPRM1OPRL1
SCHEMBL4663408 0.88 OPRM1 (0.48) OPRK1SMN1; SMN2OPRM1OPRL1OPRD1
SCHEMBL4665358 0.88 SLC6A4 (0.46) OPRK1SMN1; SMN2TDP1OPRM1OPRL1
SCHEMBL4665369 0.88 OPRM1 (0.48) OPRK1SMN1; SMN2OPRM1OPRL1OPRD1

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 6/4885SMN1; SMN2 1044/4885TDP1 3914/4885

“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.