SCHEMBL4665368

SCHEMBL4665368

CC(C)c1ccc(C2(O)CCC(CCc3ccccc3)CC2CN(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
OPRK1 P41145 11/20 0.41
OPRD1 P41143 6/20 0.41
OPRM1 P35372 8/20 0.38
ARRB1 P49407 2/20 0.38
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
OPRL1 P41146 3/20 0.36
MAOB P27338 1/20 0.35
SLC22A1 O15245 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4663951 0.89 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4664075 0.88 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4665363 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4663684 0.87 OPRK1 (0.48) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4664027 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4665562 0.85 OPRK1 (0.46) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4663891 0.84 OPRK1 (0.44) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4665490 0.84 OPRK1 (0.45) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4663570 0.83 OPRK1 (0.42) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1
SCHEMBL4664088 0.83 OPRK1 (0.41) ALDH1A1SMN1; SMN2OPRK1OPRD1OPRM1

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 ALDH1A1 2922/4885SMN1; SMN2 1044/4885OPRK1 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.