SCHEMBL4759726

SCHEMBL4759726

CCOC(=O)C1=CNCC(C)(C)c2c1[nH]c1cc(N(C)C(=O)N(C)C)ccc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 8/20 0.42
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
MAPK10 P53779 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL274072 0.84 NR1H4 (0.46) NR1H4GAALMNAMAPTKDM4E
SCHEMBL273938 0.83 NR1H4 (0.46) NR1H4GAALMNAMAPTKDM4E
SCHEMBL275052 0.81 NR1H4 (0.59) NR1H4GAALMNAMAPTKDM4E
SCHEMBL29881447 0.81 NR1H4 (0.59) NR1H4GAALMNAMAPTKDM4E
SCHEMBL273454 0.79 NR1H4 (0.72) NR1H4
SCHEMBL275140 0.78 NR1H4 (0.75) NR1H4
SCHEMBL274475 0.77 NR1H4 (0.42) NR1H4GAALMNAMAPTKDM4E
SCHEMBL274171 0.77 NR1H4 (0.51) NR1H4GAALMNAMAPTKDM4E
SCHEMBL275871 0.77 NR1H4 (0.46) NR1H4GAALMNAMAPTKDM4E
SCHEMBL274079 0.76 NR1H4 (0.48) NR1H4GAALMNAMAPTKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents AKARNA THERAPEUTICS, LTD. (GB) 2005-03-10 US claimed
EP-1963331-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2008-09-03 EP disclosed
WO-2007070796-A1 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2007-06-21 WO 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-20050054634-A1 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents GPR119, IRS1, INSR NR1H4 75/4885GAA 746/4885LMNA 2897/4885

“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.