SCHEMBL4664152

SCHEMBL4664152

Cc1cccc(C2(O)CCC(c3ccccc3)CC2C(c2ccccc2)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.41
OPRK1 P41145 9/20 0.41
OPRM1 P35372 8/20 0.41
OPRL1 P41146 2/20 0.41
CCR5 P51681 1/20 0.33
SLC6A2 P23975 2/20 0.33
MEN1 O00255 1/20 0.33
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33

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
SCHEMBL4663546 0.87 OPRD1 (0.44) OPRD1OPRK1OPRM1OPRL1SLC6A2
SCHEMBL5163165 0.82 OPRM1 (0.44) OPRD1OPRK1OPRM1OPRL1SLC6A2
SCHEMBL4664132 0.81 OPRM1 (0.41) OPRD1OPRK1OPRM1OPRL1SLC6A4
SCHEMBL4665487 0.81 PSEN1 (0.32) OPRM1OPRL1TRPA1
SCHEMBL4663548 0.77 OPRM1 (0.41) OPRD1OPRK1OPRM1OPRL1MEN1
SCHEMBL4664188 0.74 TRPA1 (0.35) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL6940847 0.74
SCHEMBL6937411 0.73 OPRM1 (0.56) OPRD1OPRK1OPRM1SLC6A2MEN1
SCHEMBL4663718 0.73 OPRL1 (0.34) OPRD1OPRK1OPRM1OPRL1ATP1A1
SCHEMBL4664155 0.73 OPRK1 (0.38) OPRD1OPRK1OPRM1OPRL1SLC6A2

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 OPRD1 25/4885OPRK1 6/4885OPRM1 5/4885

“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.