SCHEMBL205215

SCHEMBL205215

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCC(C(=O)c4ccccc4)CC3)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 13/20 0.45
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD11B1 P28845 1/20 0.41
MGLL Q99685 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
SCHEMBL205345 0.93 MGLL (0.49) SSTR1SSTR4KMT2AHSD11B1MGLL
SCHEMBL205707 0.88 FAAH (0.49) SSTR1SSTR4KMT2AMGLL
SCHEMBL208523 0.88 SSTR1 (0.46) CTDSP1TDP1SSTR1SSTR4KMT2A
SCHEMBL207640 0.86 MGLL (0.46) KMT2AHSD11B1MGLL
SCHEMBL4052851 0.84 KMT2A (0.48) CTDSP1TDP1SSTR1SSTR4KMT2A
SCHEMBL205785 0.84 MEN1 (0.43) SSTR1SSTR4KMT2AMGLL
SCHEMBL207488 0.83 MEN1 (0.47) CTDSP1TDP1SSTR1SSTR4KMT2A
SCHEMBL205971 0.82 CXCR4 (0.46) SSTR1SSTR4KMT2A
SCHEMBL207062 0.81 KMT2A (0.47) SSTR1SSTR4KMT2A
SCHEMBL207144 0.80 ADAMTS4 (0.47) TDP1SSTR1SSTR4KMT2A

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 CCKBR 1058/4885CTDSP1 1044/4885TDP1 930/4885

“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.