SCHEMBL206534

SCHEMBL206534

CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCCSCc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.44
POLB P06746 2/20 0.41
KMT2A Q03164 1/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
ALDH1A1 P00352 8/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 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
SCHEMBL206686 0.88 KMT2A (0.42) HPGDKMT2AOPRM1OPRL1ALDH1A1
SCHEMBL206077 0.87 OPRM1 (0.48) HPGDPOLBKMT2AOPRM1OPRL1
SCHEMBL207133 0.79 ALDH1A1 (0.50) HPGDKMT2AOPRM1OPRL1ALDH1A1
SCHEMBL208376 0.79 OPRM1 (0.44) HPGDKMT2AOPRM1OPRL1ALDH1A1
SCHEMBL207975 0.79 HPGD (0.43) HPGDPOLBKMT2AALDH1A1THRB
SCHEMBL206293 0.78 HPGD (0.51) HPGDPOLBKMT2AALDH1A1THRB
SCHEMBL4074077 0.77 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL206898 0.77 OPRM1 (0.60) OPRM1OPRL1CYP1A2CYP2C19
SCHEMBL210046 0.76 OPRM1 (0.46) HPGDKMT2AOPRM1OPRL1RECQL
SCHEMBL207653 0.76 OPRM1 (0.43) HPGDPOLBOPRM1OPRL1

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 HPGD 96/4885POLB 1568/4885KMT2A 3604/4885

“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.