SCHEMBL207488

SCHEMBL207488

Cc1cccc(CC2(N(C)C)CCC(NC(=O)CCC(=O)N3CC=C(c4ccccc4)CC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SSTR1 P30872 1/20 0.41
SSTR4 P31391 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 2/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ADAM10 O14672 2/20 0.38
MMP2 P08253 2/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL205784 0.91 MEN1 (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL206590 0.88 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL205707 0.84 FAAH (0.49) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL208523 0.84 SSTR1 (0.46) MEN1KMT2AALDH1A1SSTR1SSTR4
SCHEMBL205215 0.83 CCKBR (0.45) KMT2ASSTR1SSTR4TDP1CTDSP1
SCHEMBL5158010 0.82 OPRM1 (0.40) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL205169 0.80 SIGMAR1 (0.41) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4052851 0.80 KMT2A (0.48) MEN1KMT2AALDH1A1KDM4ESSTR1
SCHEMBL207062 0.79 KMT2A (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL206665 0.79 SSTR4 (0.45) MEN1KMT2AMAPTSSTR1SSTR4

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 3604/4885MAPT 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.