SCHEMBL273640

SCHEMBL273640

CCOC(=O)C1=CN(C(=O)c2cccc(Cl)c2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.73
ELANE P08246 1/20 0.48
ALOX5 P09917 1/20 0.46
ABCB1 P08183 2/20 0.44
ABCG2 Q9UNQ0 2/20 0.44
AURKA O14965 1/20 0.44
MAPK10 P53779 1/20 0.44
RIPK1 Q13546 1/20 0.44
ESR1 P03372 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL274415 0.91 NR1H4 (0.75) NR1H4ELANEAURKAMAPK10RIPK1
SCHEMBL272840 0.91 NR1H4 (0.60) NR1H4ELANEALOX5
SCHEMBL274228 0.90 NR1H4 (0.74) NR1H4AURKAMAPK10RIPK1
SCHEMBL274275 0.90 NR1H4 (0.82) NR1H4ELANEALOX5ABCG2AURKA
SCHEMBL273315 0.90 NR1H4 (0.85) NR1H4ABCB1ABCG2AURKAMAPK10
SCHEMBL275251 0.89 NR1H4 (0.70) NR1H4AURKAMAPK10RIPK1
SCHEMBL29881268 0.89 NR1H4 (0.81) NR1H4ELANEAURKAMAPK10RIPK1
SCHEMBL275292 0.89 NR1H4 (0.75) NR1H4ABCB1ABCG2AURKAMAPK10
SCHEMBL274607 0.89 NR1H4 (0.81) NR1H4ELANEAURKAMAPK10RIPK1
SCHEMBL273796 0.89 NR1H4 (0.70) NR1H4ALOX5

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-1692136-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS X-Ceptor Therapeutics, Inc. (US) 2006-08-23 EP disclosed
WO-2005056554-A2 AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2005-06-23 WO 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

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 268/4885ELANE 3604/4885ALOX5 351/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885ELANE 2386/4885ALOX5 458/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885ELANE 3604/4885ALOX5 351/4885
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 75/4885ELANE 3673/4885ALOX5 2991/4885

“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.