SCHEMBL208978

SCHEMBL208978

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
ADAMTS5 Q9UNA0 2/20 0.47
MAPT P10636 6/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 2/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL206771 0.93 AR (0.46) RAB9AADAMTS5MAPTTSHR
SCHEMBL205791 0.89 MAPT (0.52) RAB9AADAMTS5MAPTKMT2AMEN1
SCHEMBL205941 0.85 MEN1 (0.42) ADAMTS5MAPTKMT2AMEN1LMNA
SCHEMBL4084407 0.85 L3MBTL1 (0.40) KMT2AMEN1POLBALDH1A1
SCHEMBL205294 0.83 AR (0.56) RAB9AADAMTS5MAPTKMT2AMEN1
SCHEMBL207812 0.83 MAPT (0.48) ADAMTS5MAPTKMT2AMEN1LMNA
SCHEMBL207366 0.82 KDM4E (0.55) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL206085 0.82 ALDH1A1 (0.48) MAPTKMT2AMEN1LMNAHTT
SCHEMBL206832 0.82 EPHX2 (0.45) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL209123 0.81 GFER (0.54) MAPTKMT2AMEN1LMNAALDH1A1

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 RAB9A 587/4885ADAMTS5 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.