SCHEMBL208277

SCHEMBL208277

CC1CCN(C(=O)CCC(=O)NC2CCC(Cc3ccc(Cl)cc3)(N(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 2/20 0.46
ATF4 P18848 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
EPHX2 P34913 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.39
HSD11B1 P28845 1/20 0.39
GAA P10253 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 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
SCHEMBL209269 0.89 LMNA (0.41) ALDH1A1KMT2ALMNAHPGDMEN1
SCHEMBL205163 0.89 SIGMAR1 (0.44) NPC1ALDH1A1KMT2ALMNAHPGD
SCHEMBL205723 0.87 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAMEN1ATF4
SCHEMBL205265 0.87 KMT2A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL205853 0.86 HPGD (0.40) NPC1RAB9AALDH1A1KMT2ALMNA
SCHEMBL207812 0.85 MAPT (0.48) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL206987 0.84 POLB (0.56) KMT2ALMNAHPGDMEN1EPHX2
SCHEMBL206876 0.84 MGLL (0.43) ALDH1A1KMT2ALMNAMEN1POLB
SCHEMBL208523 0.84 SSTR1 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL4072326 0.83 SIGMAR1 (0.49) KMT2ALMNAMEN1SIGMAR1

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 SMN1; SMN2 1061/4885NPC1 46/4885RAB9A 587/4885

“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.