SCHEMBL206275

SCHEMBL206275

CN(C)C1(c2cccs2)CCC(NC(=O)CCC(=O)N(CCC#N)CCC#N)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.42
OPRL1 P41146 8/20 0.42
POLB P06746 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 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
SCHEMBL4074077 0.81 OPRM1 (0.51) OPRM1OPRL1SMN1; SMN2NPC1RAB9A
SCHEMBL206106 0.80 OPRM1 (0.49) OPRM1OPRL1POLBMEN1KMT2A
SCHEMBL4074080 0.78 OPRM1 (0.51) OPRM1OPRL1NPC1RAB9A
SCHEMBL4079677 0.77 OPRM1 (0.47) OPRM1OPRL1NPC1RAB9A
SCHEMBL4046091 0.76 ACKR3 (0.50) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL4083177 0.76 OPRM1 (0.47) OPRM1OPRL1KMT2AALDH1A1SMN1; SMN2
SCHEMBL209213 0.76 OPRM1 (0.41) OPRM1OPRL1POLBNPC1RAB9A
SCHEMBL208376 0.75 OPRM1 (0.44) OPRM1OPRL1MEN1KMT2AALDH1A1
SCHEMBL206898 0.75 OPRM1 (0.60) OPRM1OPRL1NPC1
SCHEMBL4079669 0.75 OPRM1 (0.45) OPRM1OPRL1ALDH1A1NPC1RAB9A

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 OPRM1 3175/4885OPRL1 2751/4885POLB 1568/4885

“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.