SCHEMBL4663548

SCHEMBL4663548

COc1ccccc1C1(O)CCC(c2ccccc2)CC1C(c1ccccc1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
OPRL1 P41146 3/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
SIGMAR1 Q99720 1/20 0.36
TACR1 P25103 4/20 0.35
TRPA1 O75762 1/20 0.32
CHRNA7 P36544 1/20 0.31
GRIN2B Q13224 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL4664132 0.83 OPRM1 (0.41) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL4663546 0.81 OPRD1 (0.44) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL4665487 0.77 PSEN1 (0.32) OPRM1OPRL1TRPA1GRIN2BSMN1; SMN2
SCHEMBL4664152 0.77 OPRD1 (0.41) OPRM1OPRD1OPRK1OPRL1TRPA1
SCHEMBL4664188 0.74 TRPA1 (0.35) SIGMAR1TRPA1ATP1A1ATP1B1ATP1A3
SCHEMBL4663718 0.73 OPRL1 (0.34) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL4663552 0.73 CHRM2 (0.38) OPRM1OPRD1OPRK1OPRL1CHRM2
SCHEMBL4665492 0.72 TRPA1 (0.33) SIGMAR1TRPA1
SCHEMBL4663447 0.72 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1SIGMAR1
SCHEMBL6939493 0.72 SLC6A2 (0.41) OPRM1OPRD1OPRK1OPRL1CHRM2

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 OPRM1 5/4885OPRD1 25/4885OPRK1 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.