SCHEMBL206505

SCHEMBL206505

CN(CCc1c[nH]c2ccccc12)C(=O)CCC(=O)NC1CCC(c2cccs2)(N(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
OPRL1 P41146 4/20 0.47
OPRM1 P35372 3/20 0.47
NPC1 O15118 2/20 0.46
CDK4 P11802 7/20 0.44
CCND1 P24385 6/20 0.44
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL207618 0.88 OPRL1 (0.62) HPGDHTTRECQLSMN1; SMN2RAB9A
SCHEMBL205896 0.80 HPGD (0.52) HPGDHTTRECQLSMN1; SMN2RAB9A
SCHEMBL251054 0.79 HPGD (0.52) HPGDHTTRECQLSMN1; SMN2RAB9A
SCHEMBL208032 0.78 CDK4 (0.50) HPGDHTTRECQLSMN1; SMN2RAB9A
SCHEMBL3406318 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AMAPTACHEOPRL1
SCHEMBL205605 0.77 ACHE (0.50) HPGDHTTRECQLSMN1; SMN2RAB9A
SCHEMBL6551537 0.75 OPRM1 (0.50) OPRL1OPRM1ALDH1A1
SCHEMBL6724438 0.75 OPRM1 (0.50) OPRL1OPRM1ALDH1A1
SCHEMBL4074077 0.75 OPRM1 (0.51) SMN1; SMN2RAB9AOPRL1OPRM1NPC1
Hydrochloric Acid SCHEMBL6727142 0.75 OPRM1 (0.49) OPRL1OPRM1ALDH1A1

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 8 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
EP-1745010-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2007-01-24 EP disclosed
WO-2005110974-A1 SUBSTITUTED CYCLOHEXYL-1,4-DIAMINE DERIVATIVES Grünenthal GmbH (DE) 2005-11-24 WO 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 96/4885HTT 422/4885RECQL 892/4885

“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.