SCHEMBL1894499

SCHEMBL1894499

O=C(O)c1cc2c(Br)c(N3CCN(Cc4cccc(F)c4)CC3)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
FAAH O00519 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HSD17B10 Q99714 1/20 0.45
SIGMAR1 Q99720 2/20 0.44
GPR183 P32249 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 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
SCHEMBL1891080 0.89 BCHE (0.46) NPY2RALDH1A1MCHR1NR1H4TSHR
SCHEMBL29881784 0.88 NR1H4 (0.57) NPY2RALDH1A1KDM4EKCNH2MCHR1
SCHEMBL1886301 0.88 NR1H4 (0.57) NPY2RALDH1A1KDM4EKCNH2MCHR1
SCHEMBL1897150 0.88 NPY2R (0.52) NPY2RALDH1A1KDM4EKCNH2MCHR1
SCHEMBL1888488 0.88 NR1H4 (0.50) ALDH1A1KDM4ENR1H4FAAHKMT2A
SCHEMBL1885831 0.87 FAAH (0.48) ALDH1A1KDM4ENR1H4FAAHKMT2A
SCHEMBL16354269 0.87 NPY2R (0.44) NPY2RALDH1A1KDM4EKCNH2MCHR1
SCHEMBL1887043 0.85 KDM4E (0.51) ALDH1A1KDM4EFAAHKMT2AMEN1
SCHEMBL1885082 0.85 DRD4 (0.47) KCNH2MCHR1NR1H4
SCHEMBL1889829 0.84 NPY2R (0.46) NPY2RALDH1A1KDM4EMCHR1NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP claimed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US claimed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US claimed
EP-2262785-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS Merck Patent GmbH (DE) 2010-12-22 EP claimed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO claimed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP 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
WO-2015036442-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2015-03-19 WO disclosed
EP-2262785-B1 BENZOFURANE DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
US-8575161-B2 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators MERCK PATENT GMBH (DE) 2013-11-05 US disclosed
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERXCK PATENT GESELLSCHAFT (DE) 2011-05-05 US disclosed
EP-2262785-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS Merck Patent GmbH (DE) 2010-12-22 EP disclosed
WO-2009127321-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS MERCK PATENT GMBH, (DE) 2009-10-22 WO disclosed
EP-2110374-A1 Benzofurane, benzothiophene, benzothiazol derivatives as FXR modulators Merck Sante (FR) 2009-10-21 EP 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-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 NPY2R 659/4885ALDH1A1 3155/4885KDM4E 4172/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 NPY2R 661/4885ALDH1A1 2924/4885KDM4E 4255/4885
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 NPY2R 484/4885ALDH1A1 875/4885KDM4E 2944/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NPY2R 659/4885ALDH1A1 3155/4885KDM4E 4172/4885

“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.