SCHEMBL206292

SCHEMBL206292

CN(Cc1cccnc1)C(=O)CCC(=O)NC1CCC(Cc2ccc(Cl)cc2)(N(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
PYGL P06737 1/20 0.41
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
C3AR1 Q16581 3/20 0.40
RIPK1 Q13546 1/20 0.39
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL207425 0.91 GRM5 (0.44) SIGMAR1PYGLALDH1A1LMNAC3AR1
SCHEMBL206377 0.82 LMNA (0.42) KMT2AMEN1SIGMAR1LMNAPOLB
SCHEMBL205653 0.80 SIGMAR1 (0.48) KMT2AMEN1SIGMAR1ALDH1A1RIPK1
SCHEMBL206987 0.80 POLB (0.56) KMT2AMEN1LMNAPOLB
SCHEMBL205911 0.80 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL4056032 0.77 CCR2 (0.46) KMT2AMEN1SIGMAR1LMNA
SCHEMBL206157 0.75 NPC1 (0.46) KMT2AMEN1
SCHEMBL206862 0.75 EPHX2 (0.43) KMT2AMEN1SIGMAR1ALDH1A1RIPK1
SCHEMBL4076309 0.74 C3AR1 (0.39) KMT2AMEN1PYGLC3AR1KDM4E
SCHEMBL4079453 0.74 LMNA (0.43) SIGMAR1LMNAPOLB

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 KMT2A 3604/4885MEN1 713/4885SIGMAR1 3262/4885

“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.