SCHEMBL272897

SCHEMBL272897

CCOC(=O)C1=CN(C(=O)Nc2ccccc2)CCc2c1[nH]c1ccccc21

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 12/20 0.66
LMNA P02545 1/20 0.49
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
AURKA O14965 1/20 0.47
MAPK10 P53779 1/20 0.47
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 1/20 0.47
F2 P00734 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL273816 0.94 NR1H4 (0.62) NR1H4LMNAMAPTKDM4EAURKA
SCHEMBL273549 0.94 NR1H4 (0.64) NR1H4LMNAMAPTKDM4EAURKA
SCHEMBL274244 0.93 NR1H4 (0.68) NR1H4MAPTALDH1A1
SCHEMBL275818 0.93 NR1H4 (0.63) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL274715 0.93 NR1H4 (0.60) NR1H4LMNAAURKAMAPK10RIPK1
SCHEMBL274031 0.93 NR1H4 (0.60) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL275932 0.93 NR1H4 (0.62) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL275675 0.93 NR1H4 (0.75) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL273231 0.93 NR1H4 (0.62) NR1H4LMNAMAPTAURKAMAPK10
SCHEMBL273742 0.92 NR1H4 (0.61) NR1H4LMNAMAPTKDM4EAURKA

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 268/4885LMNA 3371/4885MAPT 2587/4885
US-20100173824-A1 Azepinoindole Derivatives As Pharmaceutical Agents HTR2A, HTR5A, HTR2C NR1H4 253/4885LMNA 3880/4885MAPT 2665/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885LMNA 3371/4885MAPT 2587/4885
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 75/4885LMNA 2897/4885MAPT 3680/4885

“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.