SCHEMBL209001

SCHEMBL209001

CN(C)C1(Cc2ccccc2)CCC(NC(=O)CCCC(=O)O)CC1.CN(C)c1ccc(CN)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.43
OPRL1 P41146 5/20 0.43
EPHX2 P34913 3/20 0.42
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FASN P49327 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4072325 0.89 OPRM1 (0.52) OPRM1OPRL1EPHX2EPHX1
SCHEMBL209000 0.87 GAA (0.47) OPRM1OPRL1EPHX2EPHX1ALDH1A1
SCHEMBL206079 0.87 OPRM1 (0.54) OPRM1OPRL1EPHX2EPHX1
Phenethylamine SCHEMBL206732 0.86 EPHX2 (0.50) OPRM1OPRL1EPHX2EPHX1SMYD3
SCHEMBL250598 0.82 OPRM1 (0.43) OPRM1OPRL1EPHX2EPHX1SMN1; SMN2
SCHEMBL2985381 0.81 OPRM1 (0.48) OPRM1OPRL1EPHX2EPHX1
SCHEMBL207196 0.80 OPRM1 (0.46) OPRM1OPRL1EPHX2EPHX1ALDH1A1
SCHEMBL206731 0.79 HDAC3 (0.51) OPRM1OPRL1EPHX2EPHX1NPC1
SCHEMBL250049 0.78 OPRM1 (0.42) OPRM1OPRL1EPHX2EPHX1ALDH1A1
SCHEMBL4076627 0.78 OPRL1 (0.45) OPRM1OPRL1EPHX2ALDH1A1ALOX15

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 5 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
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 OPRM1 3175/4885OPRL1 2751/4885EPHX2 1203/4885

“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.