SCHEMBL207134

SCHEMBL207134

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)NCCc3ccc(F)cc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
RAB9A P51151 1/20 0.42
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 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
SCHEMBL207909 0.93 HDAC3 (0.45) HPGDALDH1A1KMT2AHDAC3HDAC1
SCHEMBL206736 0.93 HPGD (0.48) HPGDALDH1A1MEN1KMT2AHDAC3
SCHEMBL206578 0.91 ALDH1A1 (0.45) HPGDALDH1A1KMT2AHDAC3HDAC1
SCHEMBL4084112 0.91 HPGD (0.45) HPGDALDH1A1MEN1KMT2AHDAC3
SCHEMBL205912 0.90 HPGD (0.47) HPGDALDH1A1MEN1KMT2ARAB9A
SCHEMBL207253 0.88 HDAC3 (0.43) HPGDALDH1A1KMT2AHDAC3HDAC1
SCHEMBL206288 0.88 ALDH1A1 (0.50) HPGDALDH1A1MEN1KMT2AHDAC3
SCHEMBL205662 0.86 HDAC3 (0.40) HPGDALDH1A1MEN1KMT2AHDAC3
SCHEMBL208660 0.85 PLAAT3 (0.46) RAB9ATP53SMN1; SMN2
SCHEMBL206456 0.85 POLB (0.45) HPGDALDH1A1KMT2ARAB9ATP53

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 HPGD 96/4885ALDH1A1 158/4885MEN1 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.