SCHEMBL206987

SCHEMBL206987

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)NC2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
HPGD P15428 5/20 0.55
EPHX1 P07099 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.47
MITF O75030 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
EPHX2 P34913 1/20 0.43
THRB P10828 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL4049886 0.86 MAPT (0.45) POLBHPGDLMNAMAPTMEN1
SCHEMBL4079453 0.86 LMNA (0.43) POLBHPGDEPHX1GAALMNA
SCHEMBL2989386 0.85 LMNA (0.45) POLBHPGDEPHX1GAALMNA
SCHEMBL206966 0.85 EPHX2 (0.62) POLBHPGDEPHX1GAALMNA
SCHEMBL16143615 0.85 ACKR3 (0.48) LMNAMAPTMEN1KMT2A
SCHEMBL4045470 0.85 ACKR3 (0.48) LMNAMAPTMEN1KMT2A
SCHEMBL5160624 0.85 LMNA (0.43) POLBHPGDEPHX1GAALMNA
SCHEMBL2979024 0.85 LMNA (0.49) POLBHPGDEPHX1GAALMNA
SCHEMBL4056032 0.85 CCR2 (0.46) LMNAMAPTMEN1KMT2AOPRM1
SCHEMBL208277 0.84 SMN1; SMN2 (0.47) POLBHPGDGAALMNAMAPT

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 POLB 1568/4885HPGD 96/4885EPHX1 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.