SCHEMBL208282

SCHEMBL208282

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCc2ccccn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 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
SCHEMBL206172 0.92 KMT2A (0.42) HTTHPGDSIGMAR1KMT2AMEN1
SCHEMBL206772 0.86 EPHX2 (0.47) HPGDSIGMAR1KMT2AEPHX2THRB
SCHEMBL206620 0.86 EPHX2 (0.46) HPGDSIGMAR1EPHX2THRBPOLB
SCHEMBL206821 0.85 TP53 (0.52) HTTHPGDSIGMAR1KMT2AMEN1
SCHEMBL207315 0.84 ALDH1A1 (0.44) HPGDSIGMAR1KMT2AEPHX2THRB
SCHEMBL207581 0.84 POLB (0.46) HPGDSIGMAR1KMT2AEPHX2THRB
SCHEMBL206579 0.83 TRPV1 (0.44) HPGDSIGMAR1EPHX2THRBPOLB
SCHEMBL206014 0.83 SIGMAR1 (0.43) HPGDSIGMAR1EPHX2THRBPOLB
SCHEMBL206685 0.83 EPHX2 (0.43) HPGDSIGMAR1KMT2AEPHX2THRB
SCHEMBL207050 0.83 EPHX2 (0.43) HPGDSIGMAR1KMT2AEPHX2THRB

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 HTT 422/4885HPGD 96/4885ALOX15 2058/4885

“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.