SCHEMBL273830

SCHEMBL273830

CCOC(=O)C1=CN(C(=O)c2ccc(F)cc2)CCc2c1[nH]c1c(F)cccc21

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 17/20 0.78
ELANE P08246 1/20 0.41
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL274752 0.92 NR1H4 (0.77) NR1H4ELANEALOX5
SCHEMBL274987 0.91 NR1H4 (0.76) NR1H4ELANEALOX5MAPT
SCHEMBL273962 0.88 NR1H4 (1.00) NR1H4ELANEKDM4EMAPTSMN1; SMN2
SCHEMBL29880779 0.88 NR1H4 (1.00) NR1H4ELANEKDM4EMAPTSMN1; SMN2
SCHEMBL274847 0.87 NR1H4 (0.72) NR1H4ELANESMN1; SMN2L3MBTL1
SCHEMBL273865 0.85 NR1H4 (0.84) NR1H4KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL273098 0.85 NR1H4 (0.84) NR1H4KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL273995 0.85 NR1H4 (0.64) NR1H4ALOX5KDM4EMAPTALOX15
SCHEMBL274204 0.85 NR1H4 (0.66) NR1H4ELANEALOX5KDM4EMAPT
SCHEMBL273662 0.84 NR1H4 (0.61) NR1H4ALOX5KDM4EALOX15

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 13 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
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 268/4885ELANE 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.