SCHEMBL275052

SCHEMBL275052

CCOC(=O)C1=CNCC(C)(C)c2c1[nH]c1ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.59
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HCRTR1 O43613 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK10 P53779 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
AURKA O14965 1/20 0.43
RIPK1 Q13546 1/20 0.43
HTR6 P50406 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 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
SCHEMBL29881447 1.00 NR1H4 (0.59) NR1H4KDM4EALDH1A1MAPTMEN1
SCHEMBL4758763 0.86 NR1H4 (0.46) NR1H4
SCHEMBL275871 0.86 NR1H4 (0.46) NR1H4KDM4EALDH1A1MAPTMEN1
SCHEMBL274810 0.85 NR1H4 (0.49) NR1H4KDM4EALDH1A1MAPTMEN1
SCHEMBL13756323 0.85 NR1H4 (0.45) NR1H4
SCHEMBL4758766 0.85 NR1H4 (0.45) NR1H4
SCHEMBL4758761 0.84 NR1H4 (0.44) NR1H4
SCHEMBL274811 0.84 NR1H4 (0.48) NR1H4KDM4EALDH1A1MAPTMEN1
SCHEMBL1243024 0.84 NR1H4 (0.59) NR1H4
SCHEMBL274079 0.84 NR1H4 (0.48) NR1H4KDM4EALDH1A1MAPTMEN1

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133992-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2012-03-13 US claimed
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents EXELIXIS, INC. (US) 2009-12-31 US claimed
US-20090215748-A1 FXR agonists for treating vitamin D associated diseases WYETH (US) 2009-08-27 US claimed
US-20090163474-A1 FXR Agonists for the Treatment of Nonalcoholic Fatty Liver and Cholesterol Gallstone Diseases WYETH (US) 2009-06-25 US claimed
US-7485634-B2 Azepinoindole and pyridoindole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2009-02-03 US claimed
US-20080299118-A1 FXR Agonists for the Treatment of Malignancies WYETH (US) 2008-12-04 US claimed
US-20080300235-A1 FXR Agonists for Reducing LOX-1 Expression WYETH (US) 2008-12-04 US claimed
US-20040023947-A1 Azepinoindole and pyridoindole derivatives as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. 2004-02-05 US claimed
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2023-01-05 US disclosed
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2023-01-05 US disclosed
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed
US-20210214362-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2021-07-15 US disclosed
US-20210214362-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2021-07-15 US disclosed
EP-3043865-B1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INST NAT SANTE RECH MED (FR) 2020-11-04 EP disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 US disclosed
US-20070015746-A1 Azepine derivaties as pharmaceutical agents X-CEPTOR THERAPEUTICS INC. (US) 2007-01-18 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 (6 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 268/4885KDM4E 4534/4885ALDH1A1 1722/4885
US-20230002394-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NR1H4 59/4885KDM4E 3393/4885ALDH1A1 1592/4885
US-20070015746-A1 Azepine derivaties as pharmaceutical agents HTR5A, TACR2, TACR1 NR1H4 280/4885KDM4E 2539/4885ALDH1A1 933/4885
US-20210214362-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NR1H4 59/4885KDM4E 3393/4885ALDH1A1 1592/4885
US-20090326218-A1 Azepinoindole and Pyridoindole Derivatives as Pharmaceutical Agents HTR5A, MTNR1A, PTGDR NR1H4 268/4885KDM4E 4534/4885ALDH1A1 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 75/4885KDM4E 4581/4885ALDH1A1 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.