SCHEMBL4663732

SCHEMBL4663732

CN(C)CC1CC(OCc2ccc(F)cc2)CCC1(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.38
TRPA1 O75762 2/20 0.37
OPRM1 P35372 3/20 0.36
OPRL1 P41146 2/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
NAAA Q02083 1/20 0.35
MEN1 O00255 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
KMT2A Q03164 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
SCHEMBL4663713 0.99 HDAC4 (0.38) HDAC4TRPA1OPRM1OPRL1CARM1
SCHEMBL4665453 0.89 OPRM1 (0.47) OPRM1OPRL1MEN1SLC6A2SLC6A4
SCHEMBL4665573 0.88 OPRM1 (0.48) OPRM1OPRL1MEN1SLC6A2SLC6A4
SCHEMBL6942937 0.87 OPRM1 (0.43) HDAC4OPRM1MEN1SLC6A2SLC6A4
SCHEMBL6938405 0.87 LMNA (0.36) HDAC4OPRM1OPRL1MEN1SLC6A2
SCHEMBL4663998 0.83 HDAC4 (0.37) HDAC4TRPA1OPRM1OPRL1CARM1
SCHEMBL4664126 0.81 OPRM1 (0.42) HDAC4OPRM1OPRL1CARM1PRMT6
SCHEMBL4663717 0.81 TRPA1 (0.44) TRPA1OPRM1MEN1SLC6A2SLC6A4
SCHEMBL4664050 0.80 TRPA1 (0.45) TRPA1OPRM1MEN1SLC6A2SLC6A4
SCHEMBL4664087 0.80 HDAC4 (0.38) HDAC4OPRM1OPRL1CARM1PRMT6

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 9 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-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 2526/4885TRPA1 155/4885OPRM1 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.