SCHEMBL4664096

SCHEMBL4664096

CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
OPRK1 P41145 6/20 0.36
OPRM1 P35372 3/20 0.36
OPRD1 P41143 2/20 0.36
HSD11B1 P28845 3/20 0.36
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4663857 0.90 TRPA1 (0.37) SMN1; SMN2OPRK1OPRM1OPRD1KMT2A
SCHEMBL4665379 0.83 OPRK1 (0.42) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4664046 0.83 SMN1; SMN2 (0.48) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4663514 0.81 SLC6A2 (0.47) OPRK1OPRM1OPRD1KMT2ACHRM2
SCHEMBL4663567 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4663543 0.80 SMN1; SMN2 (0.56) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4665424 0.80 CCR5 (0.38) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4665371 0.80 OPRK1 (0.39) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4663488 0.79 OPRK1 (0.38) SMN1; SMN2TDP1OPRK1OPRM1OPRD1
SCHEMBL4665354 0.79 DRD2 (0.41) 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 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 SMN1; SMN2 1044/4885TDP1 3914/4885POLB 4022/4885

“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.