SCHEMBL205944

SCHEMBL205944

CN(C)C1(Cc2cccc(Cl)c2)CCC(NC(=O)CCC(=O)NCc2ccc(F)cc2F)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 5/20 0.45
MAPK1 P28482 1/20 0.42
NPC1 O15118 1/20 0.41
EPHX2 P34913 1/20 0.41
THRB P10828 1/20 0.41
HPGD P15428 1/20 0.41
ACKR3 P25106 2/20 0.40
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
TP53 P04637 1/20 0.36
P2RX7 Q99572 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
SCHEMBL210043 0.92 MAPK1 (0.41) LMNASIGMAR1MAPK1NPC1EPHX2
SCHEMBL205370 0.90 SIGMAR1 (0.50) LMNASIGMAR1EPHX2THRBHPGD
SCHEMBL206014 0.88 SIGMAR1 (0.43) LMNASIGMAR1NPC1EPHX2THRB
SCHEMBL206617 0.87 SIGMAR1 (0.43) SIGMAR1NPC1EPHX2THRBHPGD
SCHEMBL208251 0.86 SIGMAR1 (0.42) SIGMAR1NPC1EPHX2THRBHPGD
SCHEMBL207050 0.86 EPHX2 (0.43) LMNASIGMAR1MAPK1EPHX2THRB
SCHEMBL206821 0.86 TP53 (0.52) LMNASIGMAR1MAPK1NPC1EPHX2
SCHEMBL206772 0.86 EPHX2 (0.47) SIGMAR1EPHX2THRBHPGDALDH1A1
SCHEMBL207315 0.85 ALDH1A1 (0.44) SIGMAR1MAPK1NPC1EPHX2THRB
SCHEMBL206620 0.85 EPHX2 (0.46) LMNASIGMAR1EPHX2THRBHPGD

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 LMNA 1995/4885SIGMAR1 3262/4885MAPK1 1332/4885

“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.