SCHEMBL207613

SCHEMBL207613

CN(C)C1(Cc2ccc(Cl)cc2)CCC(NC(=O)CCC(=O)NCc2cccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.44
CCR4 P51679 5/20 0.44
DRD4 P21917 1/20 0.41
LMNA P02545 1/20 0.41
P2RX7 Q99572 1/20 0.40
PSMB8 P28062 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 2/20 0.39
POLB P06746 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
GRM7 Q14831 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL206789 0.88 NPC1 (0.45) SIGMAR1LMNAMEN1KMT2AEPHX1
SCHEMBL206620 0.83 EPHX2 (0.46) SIGMAR1LMNAEPHX1POLBMAPT
SCHEMBL206533 0.83 CYP2C9 (0.42) SIGMAR1LMNAKMT2AEPHX1POLB
SCHEMBL206406 0.81 EPHX1 (0.42) SIGMAR1LMNAP2RX7EPHX1POLB
SCHEMBL206821 0.81 TP53 (0.52) SIGMAR1LMNAMEN1KMT2APOLB
SCHEMBL206987 0.80 POLB (0.56) LMNAMEN1KMT2AEPHX1POLB
SCHEMBL206304 0.80 CNR1 (0.44) SIGMAR1LMNAKMT2AEPHX1OPRM1
SCHEMBL207315 0.80 ALDH1A1 (0.44) SIGMAR1KMT2AOPRM1OPRL1MAPT
SCHEMBL207050 0.79 EPHX2 (0.43) SIGMAR1LMNAP2RX7KMT2AMAPT
SCHEMBL207809 0.79 HPGD (0.53) MEN1KMT2AMAPT

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 SIGMAR1 3262/4885CCR4 2359/4885DRD4 1574/4885

“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.