SCHEMBL4665645

SCHEMBL4665645

CN(C)CC1CC(Cc2ccc(F)cc2)CCC1(O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.39
OPRL1 P41146 3/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TRPA1 O75762 1/20 0.37
CCR3 P51677 1/20 0.36
OPRD1 P41143 3/20 0.35
OPRK1 P41145 3/20 0.35
POLB P06746 1/20 0.35
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 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
SCHEMBL4665479 0.94 MEN1 (0.39) OPRM1OPRL1MEN1KMT2ATRPA1
SCHEMBL4663541 0.89 ALDH1A1 (0.39) OPRM1OPRL1OPRD1OPRK1KDM1A
SCHEMBL4663376 0.89 TRPA1 (0.39) OPRM1OPRL1MEN1KMT2ATRPA1
SCHEMBL4663553 0.84 TRPA1 (0.41) OPRM1TRPA1OPRD1OPRK1
SCHEMBL4663554 0.83 ALDH1A1 (0.38) OPRM1OPRL1MEN1KMT2ACCR3
SCHEMBL4663915 0.82 OPRM1 (0.43) OPRM1OPRL1
SCHEMBL4663475 0.82 OPRD1 (0.39) OPRM1OPRL1MEN1KMT2ATRPA1
SCHEMBL4663539 0.82 SLC6A4 (0.47) OPRM1MEN1KMT2AOPRD1OPRK1
SCHEMBL4665334 0.81 ALDH1A1 (0.48) OPRM1MEN1KMT2ATRPA1OPRD1
SCHEMBL4663495 0.81 CCR3 (0.43) OPRM1TRPA1CCR3OPRD1OPRK1

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 5/4885OPRL1 9/4885MEN1 3223/4885

“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.