SCHEMBL1889454

SCHEMBL1889454

NC(=O)c1cc2cc(N3CCN(Cc4cccc(C(F)(F)F)c4)CC3)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.51
SLC6A2 P23975 11/20 0.51
SLC6A3 Q01959 11/20 0.51
SLC6A4 P31645 8/20 0.50
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4C Q9H3R0 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
FAAH O00519 1/20 0.48
LMNA P02545 1/20 0.47

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
SCHEMBL29881751 1.00 HTR1A (0.51) HTR1ASLC6A2SLC6A3SLC6A4KDM4E
SCHEMBL7502997 0.90 SLC2A1 (0.51) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL16354172 0.88 KDM4E (0.46) HTR1ASLC6A4KDM4EALDH1A1KDM4C
SCHEMBL29880647 0.85 HTR1A (0.49) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1893297 0.85 HTR1A (0.49) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL2704956 0.85 SLC6A2 (0.57) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL29880731 0.85 HTR1A (0.53) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1889888 0.85 HTR1A (0.53) HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL16569423 0.84
SCHEMBL1885142 0.81 HTR1A (0.55) HTR1ASLC6A2SLC6A3SLC6A4

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 15 patents. 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
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-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-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 HTR1A 3206/4885SLC6A2 2686/4885SLC6A3 3456/4885
US-20160220586-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, NR1H3, FXR2 HTR1A 3218/4885SLC6A2 2787/4885SLC6A3 3537/4885
US-20110105475-A1 BENZOFURANE, BENZOTHIOPHENE, BENZOTHIAZOL DERIVATIVES AS FXR MODULATORS FXR1, FXR2, NR1H4 HTR1A 1570/4885SLC6A2 1721/4885SLC6A3 1576/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 HTR1A 3206/4885SLC6A2 2686/4885SLC6A3 3456/4885

“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.