SCHEMBL4663554

SCHEMBL4663554

CN(C)CC1CC(Cc2ccc(Cl)cc2)CCC1(O)CCCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CCR3 P51677 2/20 0.36
OPRM1 P35372 4/20 0.35
ARRB1 P49407 1/20 0.35
OPRL1 P41146 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 1/20 0.34
OPRK1 P41145 2/20 0.34
OPRD1 P41143 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ATP1A1 P05023 1/20 0.33
ATP1B1 P05026 1/20 0.33
ATP1A3 P13637 1/20 0.33
ATP1B2 P14415 1/20 0.33
ATP1A2 P50993 1/20 0.33
ATP1B3 P54709 1/20 0.33
FXYD2 P54710 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
SCHEMBL4663541 0.94 ALDH1A1 (0.39) ALDH1A1OPRM1OPRL1OPRK1OPRD1
SCHEMBL4665479 0.90 MEN1 (0.39) CCR3OPRM1ARRB1OPRL1MEN1
SCHEMBL4665645 0.83 OPRM1 (0.39) CCR3OPRM1OPRL1MEN1KMT2A
SCHEMBL4663731 0.82 OPRM1 (0.36) ALDH1A1OPRM1MEN1KMT2AOPRK1
SCHEMBL4663603 0.82 SLC6A4 (0.46) OPRM1MEN1KMT2AOPRK1OPRD1
SCHEMBL4663381 0.80 SMN1; SMN2 (0.41) ALDH1A1OPRM1MEN1KMT2AOPRK1
SCHEMBL4665352 0.80 OPRM1 (0.35) ALDH1A1CCR3OPRM1MEN1KMT2A
SCHEMBL4664046 0.80 SMN1; SMN2 (0.48) ALDH1A1OPRM1MEN1KMT2AOPRK1
SCHEMBL4664186 0.80 CCR3 (0.43) ALDH1A1CCR3OPRM1OPRK1OPRD1
SCHEMBL4664121 0.79 SLC6A4 (0.38) ALDH1A1OPRM1OPRL1MEN1KMT2A

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 ALDH1A1 2922/4885CCR3 144/4885OPRM1 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.