SCHEMBL205785

SCHEMBL205785

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(C(=O)c4cccc(Cl)c4)CC3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADRB2 P07550 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MGLL Q99685 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 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
SCHEMBL206876 0.91 MGLL (0.43) MEN1KMT2AADRB2LMNAALDH1A1
SCHEMBL207062 0.86 KMT2A (0.47) MEN1KMT2ASSTR1SSTR4LMNA
SCHEMBL207068 0.86 USP2 (0.50) LMNAMAPT
SCHEMBL4081400 0.86 SIGMAR1 (0.46) MEN1KMT2AMAPTEPHX2ALDH1A1
SCHEMBL205345 0.85 MGLL (0.49) KMT2ASSTR1SSTR4LMNAALDH1A1
SCHEMBL208523 0.85 SSTR1 (0.46) MEN1KMT2ASSTR1SSTR4LMNA
SCHEMBL207761 0.84 ALDH1A1 (0.51) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL205163 0.84 SIGMAR1 (0.44) MEN1KMT2ASSTR1SSTR4LMNA
SCHEMBL205971 0.84 CXCR4 (0.46) MEN1KMT2ASSTR1SSTR4ALDH1A1
SCHEMBL205215 0.84 CCKBR (0.45) KMT2ASSTR1SSTR4MGLL

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 MEN1 713/4885KMT2A 3604/4885ADRB2 1418/4885

“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.