SCHEMBL209123

SCHEMBL209123

COc1ccc(N2CCN(C(=O)CCC(=O)NC3CCC(Cc4ccc(C)cc4)(N(C)C)CC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GFER P55789 3/20 0.54
MAPT P10636 9/20 0.50
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL207812 0.90 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL206085 0.89 ALDH1A1 (0.48) GFERMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL205941 0.85 MEN1 (0.42) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4084407 0.85 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL206758 0.84 ATF4 (0.44) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL207144 0.84 ADAMTS4 (0.47) GFERMAPTMEN1KMT2ALMNA
SCHEMBL206771 0.83 AR (0.46) MAPT
SCHEMBL206832 0.82 EPHX2 (0.45) SMN1; SMN2MEN1KMT2ALMNAALDH1A1
SCHEMBL208978 0.81 RAB9A (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL207366 0.81 KDM4E (0.55) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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 GFER 4421/4885MAPT 1103/4885SMN1; SMN2 1061/4885

“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.