SCHEMBL206771

SCHEMBL206771

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4ccccc4C)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
ADAMTS5 Q9UNA0 7/20 0.45
MAPT P10636 2/20 0.41
RBP4 P02753 1/20 0.40
MMP1 P03956 1/20 0.40
TSHR P16473 1/20 0.39
NPY5R Q15761 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL208978 0.93 RAB9A (0.48) ADAMTS5MAPTTSHRRAB9A
SCHEMBL205294 0.90 AR (0.56) ARADAMTS5MAPTMMP1TSHR
SCHEMBL4084407 0.86 L3MBTL1 (0.40)
SCHEMBL207366 0.85 KDM4E (0.55) MAPTTSHR
SCHEMBL205941 0.85 MEN1 (0.42) ADAMTS5MAPTTSHRNPY5R
SCHEMBL207812 0.84 MAPT (0.48) ADAMTS5MAPT
SCHEMBL205791 0.84 MAPT (0.52) ARADAMTS5MAPTTSHRRAB9A
SCHEMBL206085 0.83 ALDH1A1 (0.48) MAPT
SCHEMBL206832 0.83 EPHX2 (0.45)
SCHEMBL209123 0.83 GFER (0.54) MAPT

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 AR 4578/4885ADAMTS5 1514/4885MAPT 1103/4885

“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.