SCHEMBL204689

SCHEMBL204689

CC(CCc1ccccc1)NC(=O)CCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
OPRM1 P35372 4/20 0.48
OPRL1 P41146 4/20 0.48
HPGD P15428 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL250531 0.85 OPRM1 (0.46) POLBOPRM1OPRL1HPGD
SCHEMBL4083177 0.84 OPRM1 (0.47) OPRM1OPRL1HPGDALDH1A1HTT
SCHEMBL206846 0.84 OPRM1 (0.47) OPRM1OPRL1ALDH1A1KMT2AMEN1
SCHEMBL206898 0.83 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL250548 0.80 OPRM1 (0.48) OPRM1OPRL1
SCHEMBL4074077 0.80 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL5157987 0.79 OPRM1 (0.35) POLBOPRM1OPRL1HPGDALDH1A1
SCHEMBL4074080 0.79 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL206106 0.79 OPRM1 (0.49) POLBOPRM1OPRL1ALDH1A1KMT2A
SCHEMBL4073137 0.78 OPRM1 (0.43) OPRM1OPRL1ALDH1A1

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
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 claimed
EP-1745010-B1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES GRUENENTHAL GMBH (DE) 2009-08-05 EP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US 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

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 POLB 1568/4885OPRM1 3175/4885OPRL1 2751/4885

“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.