SCHEMBL4664087

SCHEMBL4664087

C=CC1(O)CCC(OCc2ccc(F)cc2)CC1CN(C)C

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
SLC18A3 Q16572 2/20 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
SCHEMBL4663929 0.89 OPRM1 (0.48) OPRM1OPRL1CARM1PRMT6
SCHEMBL4664126 0.82 OPRM1 (0.42) HDAC4OPRM1OPRL1CARM1PRMT6
SCHEMBL4663768 0.81 TRPA1 (0.40) OPRM1
SCHEMBL4663713 0.80 HDAC4 (0.38) HDAC4OPRM1OPRL1CARM1PRMT6
SCHEMBL4664190 0.80 OPRM1 (0.48) OPRM1OPRL1SLC18A3
SCHEMBL4663732 0.80 HDAC4 (0.38) HDAC4OPRM1OPRL1CARM1PRMT6
SCHEMBL4664221 0.79 OPRM1 (0.40) HDAC4OPRM1OPRL1CARM1PRMT6
SCHEMBL4663390 0.79 OPRM1 (0.45) HDAC4OPRM1OPRL1SLC18A3
SCHEMBL1383989 0.78 HDAC4 (0.43) HDAC4OPRM1OPRL1SLC18A3
SCHEMBL4663414 0.78 OPRM1 (0.39) HDAC4OPRM1OPRL1

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 HDAC4 2526/4885OPRM1 5/4885OPRL1 9/4885

“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.