SCHEMBL206926

SCHEMBL206926

CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
HSD11B1 P28845 2/20 0.43
OPRM1 P35372 3/20 0.42
OPRL1 P41146 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX2 P34913 4/20 0.41
P2RX7 Q99572 6/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL207611 0.85 OPRM1 (0.60) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4074077 0.82 OPRM1 (0.51) OPRM1OPRL1EPHX2
SCHEMBL208376 0.80 OPRM1 (0.44) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4074080 0.79 OPRM1 (0.51) OPRM1OPRL1EPHX2
SCHEMBL207139 0.79 OPRM1 (0.37) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4079677 0.78 OPRM1 (0.47) OPRM1OPRL1EPHX2
SCHEMBL206898 0.78 OPRM1 (0.60) OPRM1OPRL1EPHX2
SCHEMBL210046 0.77 OPRM1 (0.46) OPRM1OPRL1MEN1KMT2AEPHX2
SCHEMBL206686 0.77 KMT2A (0.42) OPRM1OPRL1KMT2AALDH1A1
SCHEMBL207653 0.77 OPRM1 (0.43) OPRM1OPRL1

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 CYP3A4 335/4885HSD11B1 928/4885OPRM1 3175/4885

“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.