SCHEMBL207062

SCHEMBL207062

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
TP53 P04637 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.42
HTR7 P34969 3/20 0.42
HTR1A P08908 2/20 0.42
HDAC1 Q13547 1/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
GFER P55789 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM5 P41594 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL207812 0.90 MAPT (0.48) KMT2AMAPTMEN1TP53ALDH1A1
SCHEMBL207068 0.90 USP2 (0.50) MAPTTP53LMNAHTTSMN1; SMN2
SCHEMBL207144 0.87 ADAMTS4 (0.47) KMT2AMAPTMEN1TP53LMNA
SCHEMBL205345 0.87 MGLL (0.49) KMT2AALDH1A1LMNASSTR1SSTR4
SCHEMBL205785 0.86 MEN1 (0.43) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL205941 0.86 MEN1 (0.42) KMT2AMAPTMEN1ALDH1A1KDM4E
SCHEMBL208523 0.85 SSTR1 (0.46) KMT2AMEN1ALDH1A1LMNASSTR1
SCHEMBL205991 0.85 USP2 (0.52) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL205971 0.85 CXCR4 (0.46) KMT2AMEN1ALDH1A1KDM4ESSTR1
SCHEMBL5154785 0.84 KMT2A (0.36) KMT2AMAPTMEN1TP53ALDH1A1

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 3604/4885MAPT 1103/4885MEN1 713/4885

“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.