SCHEMBL206809

SCHEMBL206809

CC(CCc1ccccc1)NC(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 3/20 0.43
UTS2R Q9UKP6 1/20 0.43
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 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
SCHEMBL206650 0.91 KMT2A (0.44) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL206824 0.86 L3MBTL1 (0.47) KMT2AALDH1A1HTTGAAMEN1
SCHEMBL4079453 0.85 LMNA (0.43) LMNAGAAMAPTSIGMAR1OPRM1
SCHEMBL208694 0.83 AVPR1A (0.41) ALDH1A1LMNAGAA
SCHEMBL205873 0.83 UTS2R (0.43) KMT2ALMNAUTS2RSIGMAR1OPRM1
SCHEMBL4056032 0.82 CCR2 (0.46) KMT2ALMNAMEN1MAPTSIGMAR1
SCHEMBL206987 0.81 POLB (0.56) KMT2ALMNAGAAMEN1MAPT
SCHEMBL206071 0.81 CNR1 (0.52) KMT2ALMNASIGMAR1OPRM1OPRL1
SCHEMBL207560 0.80 POLB (0.41) KMT2AALDH1A1LMNAGAAMEN1
SCHEMBL4054992 0.78 CCR2 (0.59) KMT2ALMNAMEN1SIGMAR1OPRM1

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 KMT2A 3604/4885ALDH1A1 158/4885HTT 422/4885

“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.