SCHEMBL1885658

SCHEMBL1885658

O=C(O)c1cc2cc(N3CCN(Cc4ccccc4)CC3)ccc2o1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.54
DRD4 P21917 4/20 0.53
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.52
HTR2B P41595 2/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
POLB P06746 1/20 0.49
HTR1A P08908 1/20 0.49

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
SCHEMBL29881785 1.00 GRIN2B (0.54) GRIN2BDRD4DRD2DRD3HTR2B
SCHEMBL2704956 0.92 SLC6A2 (0.57) GRIN2BDRD4DRD2DRD3HTR1A
SCHEMBL6862585 0.90 GRIN2B (0.69) GRIN2BPOLB
SCHEMBL6773949 0.86
SCHEMBL17978331 0.83 HTR1A (0.54) HTR1A
SCHEMBL7567855 0.82 DRD4 (0.54) DRD4DRD2DRD3HTR2BPOLB
SCHEMBL14444550 0.82 DRD2 (0.59) DRD4DRD2DRD3HTR2BPOLB
SCHEMBL1889888 0.82 HTR1A (0.53) HTR1A
SCHEMBL29880731 0.82 HTR1A (0.53) HTR1A
Hydrochloric Acid SCHEMBL17978271 0.82 HTR1A (0.53) HTR1A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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 GRIN2B 1845/4885DRD4 4662/4885DRD2 4819/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 GRIN2B 1867/4885DRD4 4597/4885DRD2 4800/4885
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 GRIN2B 1765/4885DRD4 2618/4885DRD2 4015/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 GRIN2B 1845/4885DRD4 4662/4885DRD2 4819/4885

“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.