SCHEMBL205707

SCHEMBL205707

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCC(Cc4ccccc4)CC3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.49
SSTR1 P30872 1/20 0.45
SSTR4 P31391 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
YAP1 P46937 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41

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
SCHEMBL208523 0.89 SSTR1 (0.46) SSTR1SSTR4ALDH1A1LMNAMEN1
SCHEMBL205215 0.88 CCKBR (0.45) SSTR1SSTR4KMT2AMGLL
SCHEMBL207488 0.84 MEN1 (0.47) SSTR1SSTR4ALDH1A1LMNAMEN1
SCHEMBL205345 0.83 MGLL (0.49) SSTR1SSTR4ALDH1A1LMNAKMT2A
SCHEMBL207062 0.82 KMT2A (0.47) SSTR1SSTR4ALDH1A1LMNAMEN1
SCHEMBL205785 0.82 MEN1 (0.43) SSTR1SSTR4ALDH1A1LMNAMEN1
SCHEMBL205971 0.82 CXCR4 (0.46) SSTR1SSTR4ALDH1A1MEN1KMT2A
SCHEMBL4052851 0.82 KMT2A (0.48) SSTR1SSTR4ALDH1A1LMNAMEN1
SCHEMBL207144 0.81 ADAMTS4 (0.47) SSTR1SSTR4LMNAMEN1KMT2A
SCHEMBL206135 0.81 OPRM1 (0.62) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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 FAAH 1802/4885SSTR1 2954/4885SSTR4 2688/4885

“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.