SCHEMBL207464

SCHEMBL207464

CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)NCCc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.45
LTA4H P09960 4/20 0.45
OPRM1 P35372 5/20 0.44
OPRL1 P41146 5/20 0.44
PLAAT3 P53816 2/20 0.41
PLAAT5 Q96KN8 2/20 0.41
PLAAT2 Q9NWW9 2/20 0.41
PLAAT4 Q9UL19 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
NR3C1 P04150 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL207653 0.87 OPRM1 (0.43) OPRM1OPRL1HPGDSMN1; SMN2
SCHEMBL206898 0.86 OPRM1 (0.60) EPHX2OPRM1OPRL1
SCHEMBL210046 0.85 OPRM1 (0.46) EPHX2OPRM1OPRL1HPGDSMN1; SMN2
SCHEMBL205762 0.85 OPRM1 (0.46) EPHX2LTA4HOPRM1OPRL1SMN1; SMN2
SCHEMBL207133 0.81 ALDH1A1 (0.50) EPHX2OPRM1OPRL1PLAAT3PLAAT5
SCHEMBL206971 0.80 MAPT (0.49) OPRM1OPRL1HPGD
SCHEMBL206077 0.80 OPRM1 (0.48) OPRM1OPRL1HPGDSMN1; SMN2
SCHEMBL206686 0.80 KMT2A (0.42) OPRM1OPRL1HPGD
SCHEMBL208376 0.80 OPRM1 (0.44) OPRM1OPRL1HPGD
SCHEMBL208760 0.79 SMYD3 (0.48) 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 9 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
JP-2007536323-A 2007-12-13 JP claimed
US-20070112007-A1 Cyclohexyl-1, 4-diamine compounds GRUENENTHAL GMBH (DE) 2007-05-17 US claimed
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP claimed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 EPHX2 1203/4885LTA4H 2104/4885OPRM1 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.