SCHEMBL208622

SCHEMBL208622

CN(CC(=O)OCc1ccccc1)C(=O)CCCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.45
OPRL1 P41146 6/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX2 P34913 1/20 0.37
EPHX1 P07099 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ENPP2 Q13822 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 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
SCHEMBL4085419 0.86 OPRM1 (0.45) OPRM1OPRL1EPHX2EPHX1ALDH1A1
SCHEMBL4074077 0.82 OPRM1 (0.51) OPRM1OPRL1EPHX2EPHX1
SCHEMBL4074080 0.81 OPRM1 (0.51) OPRM1OPRL1EPHX2EPHX1SIGMAR1
SCHEMBL206923 0.81 OPRM1 (0.43) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL206846 0.80 OPRM1 (0.47) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4079677 0.79 OPRM1 (0.47) OPRM1OPRL1EPHX2EPHX1
SCHEMBL250548 0.78 OPRM1 (0.48) OPRM1OPRL1EPHX2EPHX1
SCHEMBL250531 0.78 OPRM1 (0.46) OPRM1OPRL1EPHX2EPHX1
SCHEMBL2981486 0.77 OPRM1 (0.54) OPRM1OPRL1KMT2AALDH1A1L3MBTL1
SCHEMBL209213 0.76 OPRM1 (0.41) 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 4 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
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 2751/4885MEN1 713/4885

“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.