SCHEMBL207365

SCHEMBL207365

COc1cccc(CCNC(=O)CCC(=O)NC2CCC(Cc3ccccc3)(N3CCOCC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL206949 0.86 SIGMAR1 (0.54) SIGMAR1LMNAALDH1A1MAPTMEN1
SCHEMBL206838 0.84 SIGMAR1 (0.47) SIGMAR1LMNAALDH1A1MAPTMEN1
SCHEMBL206236 0.84 KDM4E (0.47) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL207752 0.82 HSD17B10 (0.50) MEN1KMT2AMAPK1
SCHEMBL207061 0.82 ALPL (0.41) SIGMAR1ALDH1A1MAPTMEN1KMT2A
SCHEMBL207051 0.81 CTDSP1 (0.43) MEN1KMT2A
SCHEMBL207774 0.79 BCHE (0.42) ALDH1A1MAPTKMT2ARAB9A
SCHEMBL207001 0.78 FKBP1A (0.49) MAPTNPC1GAARAB9A
SCHEMBL207923 0.77 SIGMAR1 (0.45) SIGMAR1ALDH1A1MAPTGAA
SCHEMBL205756 0.77 SIGMAR1 (0.49) SIGMAR1LMNAMAPTMEN1KMT2A

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 SIGMAR1 3262/4885LMNA 1995/4885ALDH1A1 158/4885

“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.