SCHEMBL208045

SCHEMBL208045

CN(C)C1(c2cccs2)CCC(NC(=O)CCCC(=O)O)CC1.NC1CCc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.43
OPRL1 P41146 6/20 0.43
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
HTR2C P28335 1/20 0.35
SLC6A3 Q01959 1/20 0.35
EPHX2 P34913 1/20 0.34
MAPT P10636 1/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL208044 0.87 MEN1 (0.43) OPRM1OPRL1MEN1KMT2ASMN1; SMN2
SCHEMBL4074080 0.87 OPRM1 (0.51) OPRM1OPRL1EPHX2EPHX1NPC1
SCHEMBL4074077 0.84 OPRM1 (0.51) OPRM1OPRL1EPHX2EPHX1NPC1
(+)-Tranylcypromine SCHEMBL250154 0.83 OPRM1 (0.45) OPRM1OPRL1EPHX2EPHX1
SCHEMBL251283 0.83 OPRM1 (0.44) OPRM1OPRL1EPHX2NPC1RAB9A
SCHEMBL250548 0.81 OPRM1 (0.48) OPRM1OPRL1EPHX2EPHX1
SCHEMBL251239 0.81 OPRM1 (0.44) OPRM1OPRL1EPHX2EPHX1NPC1
SCHEMBL249111 0.80 OPRM1 (0.46) OPRM1OPRL1EPHX2EPHX1NPC1
SCHEMBL250470 0.80 OPRM1 (0.46) OPRM1OPRL1EPHX2EPHX1KMT2A
SCHEMBL4079677 0.80 OPRM1 (0.47) OPRM1OPRL1EPHX2EPHX1NPC1

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 2751/4885MTNR1A 3152/4885

“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.