SCHEMBL4663698

SCHEMBL4663698

CN(C)CC1CC(OCc2ccccc2)CCC1(O)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRL1 P41146 2/20 0.46
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRK1 P41145 8/20 0.36
OPRD1 P41143 4/20 0.36
SIGMAR1 Q99720 1/20 0.35
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AGTR2 P50052 2/20 0.34
HDAC4 P56524 1/20 0.34
SLC22A1 O15245 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 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
SCHEMBL27372207 0.89 OPRM1 (0.47) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4665435 0.88 OPRM1 (0.46) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4664211 0.87 OPRM1 (0.46) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4664102 0.86 OPRM1 (0.45) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4663913 0.85 OPRM1 (0.56) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4665669 0.85 OPRM1 (0.44) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8614202 0.85 OPRM1 (0.46) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4663427 0.85 OPRM1 (0.44) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
SCHEMBL4663400 0.85 OPRM1 (0.48) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8614267 0.83 OPRM1 (0.43) OPRM1OPRL1DPP4ALDH1A1SMN1; SMN2

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 OPRM1 5/4885OPRL1 9/4885DPP4 1175/4885

“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.