SCHEMBL275095

SCHEMBL275095

CCOC(=O)C1=CN(C(=O)c2ccc(-c3ccccn3)s2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.61
L3MBTL1 Q9Y468 3/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 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
SCHEMBL274293 0.88 NR1H4 (0.65) NR1H4L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL275878 0.86 NR1H4 (0.62) NR1H4L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL273315 0.81 NR1H4 (0.85) NR1H4L3MBTL1ALDH1A1MAPTGAA
SCHEMBL275464 0.81 NR1H4 (0.69) NR1H4ALDH1A1NPSR1MAPTAURKA
SCHEMBL274557 0.80 NR1H4 (0.79) NR1H4L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL275019 0.80 NR1H4 (0.65) NR1H4L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL273548 0.80 NR1H4 (0.65) NR1H4L3MBTL1ALDH1A1MAPTAURKA
SCHEMBL273602 0.79 NR1H4 (0.73) NR1H4L3MBTL1ALDH1A1NPSR1POLB
SCHEMBL274342 0.78 NR1H4 (0.73) NR1H4ALDH1A1MAPTAURKAMAPK10
SCHEMBL275094 0.78 NR1H4 (0.57) NR1H4L3MBTL1ALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524704-B2 Azepinoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-09-03 US disclosed
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US disclosed
EP-1532153-B1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X CEPTOR THERAPEUTICS INC (US) 2012-02-29 EP disclosed
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2010-07-08 US disclosed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US disclosed
US-7595311-B2 Modulating active of receptors; therapy prevention of disease such aas symthrome X, antidiabetic agents, insulin resistance, hypoglycemic agents EXELIXIS, INC. (US) 2009-09-29 US disclosed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US disclosed
EP-1532153-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2005-05-25 EP disclosed
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 disclosed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US disclosed
WO-2003099821-A1 AZEPINOINDOLE AND PYRIDOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-CEPTOR THERAPEUTICS, INC. (US) 2003-12-04 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 (4 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-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885L3MBTL1 4876/4885ALDH1A1 1722/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885L3MBTL1 4881/4885ALDH1A1 1321/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885L3MBTL1 4876/4885ALDH1A1 1722/4885
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 75/4885L3MBTL1 4182/4885ALDH1A1 3963/4885

“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.