SCHEMBL4663718

SCHEMBL4663718

CN(C)C(c1ccccc1)C1CC(c2ccccc2)CCC1(O)Cc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
TRPA1 O75762 1/20 0.34
NR3C2 P08235 1/20 0.34
LMNA P02545 1/20 0.33
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ATP1A1 P05023 2/20 0.32
ATP1B1 P05026 2/20 0.32
ATP1A3 P13637 2/20 0.32
ATP1B2 P14415 2/20 0.32
ATP1A2 P50993 2/20 0.32
ATP1B3 P54709 2/20 0.32
FXYD2 P54710 2/20 0.32
ATP1A4 Q13733 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
AGTR2 P50052 2/20 0.31

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
SCHEMBL4663447 0.89 OPRM1 (0.38) OPRL1OPRM1OPRK1OPRD1TRPA1
SCHEMBL4663964 0.87 OPRM1 (0.39) OPRL1OPRM1OPRK1OPRD1SLC18A3
SCHEMBL27486371 0.84 OPRL1 (0.34) OPRL1OPRM1OPRK1OPRD1TRPA1
Hydrochloric Acid SCHEMBL27499133 0.83 OPRL1 (0.36) OPRL1OPRM1OPRK1OPRD1TRPA1
SCHEMBL6936762 0.81 SLC6A9 (0.39) OPRL1OPRM1OPRK1OPRD1LMNA
Hydrochloric Acid SCHEMBL7741182 0.80 OPRL1 (0.39) OPRL1OPRM1OPRK1OPRD1LMNA
SCHEMBL4665492 0.80 TRPA1 (0.33) TRPA1SLC18A3SIGMAR1AGTR2
SCHEMBL4664188 0.78 TRPA1 (0.35) TRPA1SLC18A3SIGMAR1ATP1A1ATP1B1
SCHEMBL6936962 0.74 SLC6A4 (0.40) OPRL1
SCHEMBL5163369 0.74 CCR5 (0.38) TRPA1

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 18 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-1368299-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2003-12-10 EP claimed
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP claimed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US claimed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP 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
EP-1043307-B1 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use GRUENENTHAL GMBH (DE) 2003-06-04 EP disclosed
US-6410790-B1 ANALGESICS GRUENENTHAL GMBH (DE) 2002-06-25 US disclosed
WO-2002030870-A2 SUBSTITUTED C-CYCLOHEXYLMETHYLAMINE DERIVATIVES Grünenthal GmbH (DE) 2002-04-18 WO disclosed
EP-1043307-A2 3-amino-3-arylpropan-1-ol-derivates, their preparation and their use Grünenthal GmbH (DE) 2000-10-11 EP 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 OPRL1 9/4885OPRM1 5/4885OPRK1 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.