SCHEMBL208044

SCHEMBL208044

CN(C)C1(c2cccs2)CCC(NC(=O)CCCC(=O)NC2CCc3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
TSHR P16473 1/20 0.41
DHODH Q02127 3/20 0.40
PARP1 P09874 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 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
SCHEMBL208045 0.87 OPRM1 (0.43) MEN1KMT2AOPRM1OPRL1SMN1; SMN2
SCHEMBL4074077 0.87 OPRM1 (0.51) OPRM1OPRL1SMN1; SMN2
SCHEMBL4074080 0.84 OPRM1 (0.51) OPRM1OPRL1
SCHEMBL4079677 0.83 OPRM1 (0.47) OPRM1OPRL1
SCHEMBL206892 0.81 ALDH1A1 (0.48) MEN1KMT2AOPRM1OPRL1ALDH1A1
SCHEMBL4079674 0.80 OPRM1 (0.45) OPRM1OPRL1
SCHEMBL4079669 0.80 OPRM1 (0.45) OPRM1OPRL1ALDH1A1TSHR
SCHEMBL4085419 0.78 OPRM1 (0.45) OPRM1OPRL1ALDH1A1DRD2TSHR
SCHEMBL4084421 0.78 OPRM1 (0.45) OPRM1OPRL1ALDH1A1SMN1; SMN2
SCHEMBL250548 0.77 OPRM1 (0.48) OPRM1OPRL1TSHR

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 MEN1 713/4885KMT2A 3604/4885OPRM1 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.