SCHEMBL205941

SCHEMBL205941

Cc1ccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CCN(c4cccc(C)c4)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPY5R Q15761 1/20 0.41
ADAMTS5 Q9UNA0 3/20 0.40
MMP2 P08253 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
FFAR4 Q5NUL3 1/20 0.39
SSTR1 P30872 1/20 0.39
SSTR4 P31391 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MMP13 P45452 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
SCHEMBL207144 0.88 ADAMTS4 (0.47) MEN1KMT2ALMNACYP3A4CYP2C9
SCHEMBL207812 0.87 MAPT (0.48) MEN1KMT2ALMNAADAMTS5MMP2
SCHEMBL206085 0.86 ALDH1A1 (0.48) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL207062 0.86 KMT2A (0.47) MEN1KMT2ALMNAADAMTS5SSTR1
SCHEMBL209123 0.85 GFER (0.54) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL208978 0.85 RAB9A (0.48) MEN1KMT2ALMNANPSR1ADAMTS5
SCHEMBL4084407 0.85 L3MBTL1 (0.40) MEN1KMT2AALDH1A1
SCHEMBL206771 0.85 AR (0.46) NPY5RADAMTS5MAPTTSHR
SCHEMBL207366 0.83 KDM4E (0.55) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL208523 0.82 SSTR1 (0.46) MEN1KMT2ALMNACYP3A4CYP2C19

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 MEN1 713/4885KMT2A 3604/4885LMNA 1995/4885

“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.