SCHEMBL206846

SCHEMBL206846

CC(NC(=O)CCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
OPRL1 P41146 6/20 0.47
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL4083177 0.87 OPRM1 (0.47) OPRM1OPRL1KMT2AALDH1A1SIGMAR1
SCHEMBL206923 0.87 OPRM1 (0.43) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4868367 0.84 CYP1A2 (0.46) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL204689 0.84 POLB (0.51) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL208622 0.80 OPRM1 (0.45) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4074077 0.78 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL206898 0.78 OPRM1 (0.60) OPRM1OPRL1L3MBTL1
SCHEMBL4074080 0.77 OPRM1 (0.51) OPRM1OPRL1SIGMAR1
SCHEMBL206106 0.77 OPRM1 (0.49) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4871673 0.77 CTSK (0.49) ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-8088763-B2 e.g. N-[1-(2,6-dichloro-benzyl)-pyrrolidin-3-yl]-N'-[4-dimethylamino-4-(4-methyl-benzyl)-cyclohexyl]-succinamide; noradrenaline and serotonin reuptake ihibitor; opioid ORL-1 receptor ligand; analgesic, antidepressant, anxiolytic agent, neurodegenerative diseases GRUENENTHAL GMBH (DE) 2012-01-03 US disclosed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP disclosed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US disclosed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 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-20070112007-A1 Cyclohexyl-1, 4-diamine compounds PKD1, DDC, DPYD OPRM1 3175/4885OPRL1 2751/4885MEN1 713/4885

“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.