SCHEMBL274607

SCHEMBL274607

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

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 0.81
ELANE P08246 1/20 0.48
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
LMNA P02545 1/20 0.47
AURKA O14965 1/20 0.44
MAPK10 P53779 1/20 0.44
RIPK1 Q13546 1/20 0.44
ESR1 P03372 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 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
SCHEMBL29881268 1.00 NR1H4 (0.81) NR1H4ELANECDK4CCND1LMNA
SCHEMBL274358 0.94 NR1H4 (0.74) NR1H4ELANECDK4CCND1LMNA
SCHEMBL273875 0.94 NR1H4 (0.74) NR1H4ELANELMNA
SCHEMBL273833 0.93 NR1H4 (0.84) NR1H4AURKAMAPK10RIPK1ESR1
SCHEMBL272908 0.91 NR1H4 (0.68) NR1H4ELANELMNA
SCHEMBL274415 0.91 NR1H4 (0.75) NR1H4ELANECDK4CCND1LMNA
SCHEMBL274893 0.91 NR1H4 (0.67) NR1H4ELANELMNA
SCHEMBL274228 0.90 NR1H4 (0.74) NR1H4CDK4CCND1AURKAMAPK10
SCHEMBL273962 0.90 NR1H4 (1.00) NR1H4ELANECDK4CCND1AURKA
SCHEMBL29880779 0.90 NR1H4 (1.00) NR1H4ELANECDK4CCND1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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
EP-3711762-A1 A FARNESOID X RECEPTOR AGONSITS FORUSE AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CHRONIC HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-09-23 EP disclosed
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-09-11 US disclosed
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2018-06-21 US disclosed
US-9895380-B2 Methods and pharmaceutical compositions for the treatment of hepatitis B virus infection INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2018-02-20 US disclosed
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-08-04 US disclosed
EP-3043865-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2016-07-20 EP disclosed
US-20080299118-A1 FXR Agonists for the Treatment of Malignancies WYETH (US) 2008-12-04 US disclosed
US-20080300235-A1 FXR Agonists for Reducing LOX-1 Expression WYETH (US) 2008-12-04 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 (5 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 3604/4885CDK4 1220/4885
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 NR1H4 1/4885ELANE 1628/4885CDK4 3912/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NR1H4 1/4885ELANE 1445/4885CDK4 3983/4885
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 3673/4885CDK4 4142/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NR1H4 1/4885ELANE 1628/4885CDK4 3912/4885

“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.