SCHEMBL206020

SCHEMBL206020

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.53
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
BCHE P06276 4/20 0.49
MTNR1A P48039 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TRPV1 Q8NER1 1/20 0.46
AANAT Q16613 1/20 0.46
HSD17B2 P37059 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
PTGS1 P23219 1/20 0.45

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
SCHEMBL207608 0.91 BCHE (0.56) ACHEHPGDHTTRECQLBCHE
SCHEMBL207809 0.91 HPGD (0.53) ACHEHPGDHTTRECQLBCHE
SCHEMBL205605 0.89 ACHE (0.50) ACHEHPGDHTTRECQLBCHE
SCHEMBL208794 0.86 ALDH1A1 (0.44) HPGDMEN1KMT2AALDH1A1
SCHEMBL208454 0.86 ALDH1A1 (0.53) HPGDMEN1KMT2AALDH1A1MAPT
SCHEMBL205735 0.86 ALDH1A1 (0.55) HPGDHTTMEN1KMT2AALDH1A1
SCHEMBL207325 0.85 NPC1 (0.49) HPGDMEN1KMT2AALDH1A1MAPK1
SCHEMBL208016 0.84 HPGD (0.48) HPGDKMT2AALDH1A1MAPT
SCHEMBL206988 0.83 ALDH1A1 (0.51) HPGDHTTMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL206061 0.83 ALDH1A1 (0.50) HPGDHTTMEN1KMT2AALDH1A1

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 ACHE 2158/4885HPGD 96/4885HTT 422/4885

“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.