SCHEMBL206876

SCHEMBL206876

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CCR2 P41597 1/20 0.42
ADRB2 P07550 1/20 0.41
LMNA P02545 3/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1A P08908 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
SCHEMBL205785 0.91 MEN1 (0.43) MGLLMEN1KMT2AADRB2LMNA
SCHEMBL4072326 0.87 SIGMAR1 (0.49) MEN1KMT2ALMNAHTR1A
SCHEMBL4081400 0.84 SIGMAR1 (0.46) MEN1KMT2AALDH1A1KDM4E
SCHEMBL208277 0.84 SMN1; SMN2 (0.47) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL207640 0.83 MGLL (0.46) MGLLMEN1KMT2ALMNAALDH1A1
SCHEMBL209269 0.83 LMNA (0.41) MEN1KMT2ALMNAALDH1A1POLB
SCHEMBL205163 0.82 SIGMAR1 (0.44) MEN1KMT2ALMNAALDH1A1
SCHEMBL208174 0.82 SIGMAR1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL206115 0.82 NPC1 (0.38) MEN1KMT2ALMNAALDH1A1
SCHEMBL207761 0.81 ALDH1A1 (0.51) MEN1KMT2ALMNAALDH1A1L3MBTL1

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 MGLL 3980/4885MEN1 713/4885KMT2A 3604/4885

“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.