SCHEMBL206377

SCHEMBL206377

C=CCN(C)C(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
HPGD P15428 2/20 0.40
TEAD1 P28347 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 1/20 0.37
GAA P10253 1/20 0.37
BCL2A1 Q16548 3/20 0.36
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 0.36
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.35
KCNA3 P22001 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
AVPR1A P37288 1/20 0.35

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
SCHEMBL206862 0.89 EPHX2 (0.43) HPGDMEN1KMT2ASIGMAR1GAA
SCHEMBL206987 0.84 POLB (0.56) LMNAHPGDPOLBMEN1KMT2A
SCHEMBL206292 0.82 KMT2A (0.42) LMNAPOLBMEN1KMT2ASIGMAR1
SCHEMBL5160624 0.79 LMNA (0.43) LMNAHPGDPOLBMEN1KMT2A
SCHEMBL4049886 0.78 MAPT (0.45) LMNAHPGDPOLBMEN1KMT2A
SCHEMBL4079453 0.78 LMNA (0.43) LMNAHPGDPOLBSIGMAR1GAA
SCHEMBL2989386 0.78 LMNA (0.45) LMNAHPGDPOLBGAASSTR1
SCHEMBL16143615 0.77 ACKR3 (0.48) LMNAMEN1KMT2AMAPTAVPR1A
SCHEMBL4045470 0.77 ACKR3 (0.48) LMNAMEN1KMT2AMAPTAVPR1A
SCHEMBL207560 0.77 POLB (0.41) LMNAHPGDPOLBMEN1KMT2A

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 LMNA 1995/4885HPGD 96/4885TEAD1 1039/4885

“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.