SCHEMBL4663473

SCHEMBL4663473

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)c1cccc(Cl)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.37
OPRK1 P41145 4/20 0.37
OPRD1 P41143 3/20 0.37
DRD2 P14416 1/20 0.37
TRPA1 O75762 1/20 0.35
ARRB1 P49407 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK14 Q16539 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL4663488 0.92 OPRK1 (0.38) OPRM1OPRK1OPRD1SMN1; SMN2TDP1
SCHEMBL4663411 0.85 CCR3 (0.38) OPRM1OPRK1OPRD1TRPA1SMN1; SMN2
SCHEMBL4667118 0.83 CHRM2 (0.38) OPRM1OPRK1OPRD1TRPA1MEN1
SCHEMBL4663830 0.83 OPRK1 (0.46) OPRM1OPRK1OPRD1MEN1SLC6A2
SCHEMBL4663454 0.82 SMN1; SMN2 (0.53) OPRM1OPRK1OPRD1ARRB1SMN1; SMN2
SCHEMBL4665406 0.82 OPRD1 (0.42) OPRM1OPRK1OPRD1TRPA1SMN1; SMN2
SCHEMBL4665354 0.81 DRD2 (0.41) OPRM1OPRK1OPRD1DRD2TRPA1
SCHEMBL4663483 0.81 DRD2 (0.41) OPRM1OPRK1OPRD1DRD2TRPA1
SCHEMBL4665334 0.81 ALDH1A1 (0.48) OPRM1OPRK1OPRD1TRPA1SMN1; SMN2
SCHEMBL4663789 0.81 SMN1; SMN2 (0.41) OPRM1OPRK1OPRD1TRPA1ARRB1

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 8 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

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 5/4885OPRK1 6/4885OPRD1 25/4885

“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.