SCHEMBL275142

SCHEMBL275142

CCOC(=O)C1=CN(C(=O)NCc2cccc(F)c2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.66
P2RY12 Q9H244 2/20 0.44
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AURKA O14965 1/20 0.42
MAPK10 P53779 1/20 0.42
RIPK1 Q13546 1/20 0.42
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL275477 0.91 NR1H4 (0.60) NR1H4P2RY12KDM4EAURKAMAPK10
SCHEMBL275694 0.91 NR1H4 (0.74) NR1H4P2RY12AURKAMAPK10RIPK1
SCHEMBL274093 0.90 NR1H4 (0.65) NR1H4P2RY12KDM4EHSD17B10AURKA
SCHEMBL274440 0.87 NR1H4 (0.63) NR1H4KDM4EAURKAMAPK10RIPK1
SCHEMBL273996 0.86 NR1H4 (0.59) NR1H4P2RY12AURKAMAPK10RIPK1
SCHEMBL275255 0.84 NR1H4 (0.60) NR1H4P2RY12KDM4EAURKAMAPK10
SCHEMBL29881268 0.84 NR1H4 (0.81) NR1H4AURKAMAPK10RIPK1
SCHEMBL274607 0.84 NR1H4 (0.81) NR1H4AURKAMAPK10RIPK1
SCHEMBL275289 0.84 NR1H4 (0.62) NR1H4P2RY12KDM4EHSD17B10AURKA
SCHEMBL275828 0.84 NR1H4 (0.62) NR1H4P2RY12AURKAMAPK10RIPK1

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 268/4885P2RY12 178/4885KDM4E 4534/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885P2RY12 324/4885KDM4E 4561/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885P2RY12 178/4885KDM4E 4534/4885
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 75/4885P2RY12 1593/4885KDM4E 4581/4885

“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.