SCHEMBL205569

SCHEMBL205569

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)Nc2ccc(CP(=O)(O)O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.46
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
DGAT2 Q96PD7 1/20 0.41
TSHR P16473 1/20 0.39
FSHR P23945 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
CACNA1G O43497 1/20 0.38
SSTR1 P30872 1/20 0.38
SSTR4 P31391 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
IDO1 P14902 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KCNQ2 O43526 1/20 0.36

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
SCHEMBL206628 0.90 SSTR4 (0.42) ENPP2HPGDDGAT2TSHRSSTR1
SCHEMBL206649 0.90 ENPP2 (0.44) ENPP2HPGDDGAT2SIGMAR1CACNA1G
SCHEMBL4081068 0.89 THRB (0.39) ENPP2EPHX2THRBHPGDTSHR
SCHEMBL5157752 0.88 EPHX2 (0.44) EPHX2THRBHPGDTSHRFSHR
SCHEMBL206966 0.82 EPHX2 (0.62) EPHX2THRBHPGDTSHRSIGMAR1
Butane SCHEMBL4081062 0.82 SIGMAR1 (0.39) EPHX2THRBHPGDTSHRFSHR
SCHEMBL206620 0.80 EPHX2 (0.46) EPHX2THRBHPGDSIGMAR1SSTR1
SCHEMBL4074159 0.80 SSTR4 (0.39) EPHX2TSHRSSTR1SSTR4MEN1
SCHEMBL206084 0.80 EPHX2 (0.47) EPHX2THRBHPGDSIGMAR1SSTR1
SCHEMBL4074093 0.79 MEN1 (0.38) ENPP2EPHX2HPGDDGAT2SIGMAR1

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 5 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
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 ENPP2 3277/4885EPHX2 1203/4885THRB 4068/4885

“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.