SCHEMBL206685

SCHEMBL206685

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCc2cccc(Br)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
THRB P10828 2/20 0.43
HPGD P15428 1/20 0.43
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
ALOX12 P18054 1/20 0.41
SIGMAR1 Q99720 4/20 0.41
TP53 P04637 2/20 0.41
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
P2RX7 Q99572 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39

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
SCHEMBL206533 0.93 CYP2C9 (0.42) THRBHPGDKMT2ASIGMAR1CYP2C9
SCHEMBL206772 0.93 EPHX2 (0.47) EPHX2THRBHPGDMAPTKMT2A
SCHEMBL207581 0.90 POLB (0.46) EPHX2THRBHPGDMAPTKMT2A
SCHEMBL206643 0.90 SSTR4 (0.43) KMT2ASIGMAR1CYP2C9CYP2C19SSTR1
SCHEMBL206620 0.90 EPHX2 (0.46) EPHX2THRBHPGDMAPTALOX12
SCHEMBL206579 0.89 TRPV1 (0.44) EPHX2THRBHPGDMAPTALOX12
SCHEMBL206617 0.88 SIGMAR1 (0.43) EPHX2THRBHPGDMAPTALOX12
SCHEMBL210043 0.88 MAPK1 (0.41) EPHX2THRBHPGDMAPTSIGMAR1
SCHEMBL208251 0.88 SIGMAR1 (0.42) EPHX2THRBHPGDMAPTALOX12
SCHEMBL206014 0.87 SIGMAR1 (0.43) EPHX2THRBHPGDMAPTALOX12

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 EPHX2 1203/4885THRB 4068/4885HPGD 96/4885

“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.