SCHEMBL208418

SCHEMBL208418

CN(C)C1(c2ccccc2)CCC(NC(=O)CCC(=O)NCCc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.60
OPRL1 P41146 8/20 0.60
EPHX1 P07099 2/20 0.48
EPHX2 P34913 1/20 0.48
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL206057 0.89 OPRM1 (0.57) OPRM1OPRL1KMT2AMEN1
SCHEMBL208501 0.89 OPRM1 (0.60) OPRM1OPRL1EPHX2HPGDKMT2A
SCHEMBL206639 0.86 OPRM1 (0.58) OPRM1OPRL1HPGDTSHR
SCHEMBL207976 0.83 OPRM1 (0.60) OPRM1OPRL1
SCHEMBL4047610 0.83 OPRL1 (0.62) OPRM1OPRL1KMT2A
Hydrochloric Acid SCHEMBL4049134 0.82 OPRM1 (0.64) OPRM1OPRL1KMT2A
SCHEMBL206791 0.81 OPRM1 (0.62) OPRM1OPRL1HPGD
SCHEMBL207055 0.81 OPRM1 (0.57) OPRM1OPRL1HTT
SCHEMBL208300 0.79 LMNA (0.50) EPHX1KMT2AMEN1TSHRHSD17B10
SCHEMBL206988 0.79 ALDH1A1 (0.51) EPHX1EPHX2USP2HPGDKMT2A

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 OPRM1 3175/4885OPRL1 2751/4885EPHX1 935/4885

“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.