SCHEMBL1164075

SCHEMBL1164075

O=C(O)c1ccc(C2CC2c2ccc(OCc3c(-c4c(Cl)cccc4Cl)noc3C3CC3)cc2Cl)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 1.00
▸ FXR2 P51116 1/20 0.81

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
SCHEMBL29881155 1.00 NR1H4 (1.00) NR1H4FXR2
SCHEMBL17079097 0.92 NR1H4 (0.86) NR1H4FXR2
SCHEMBL12808865 0.92 NR1H4 (0.85) NR1H4FXR2
SCHEMBL12168800 0.92 NR1H4 (0.84) NR1H4FXR2
Px-102 SCHEMBL24662891 0.90 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087854 0.90 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL17087850 0.90 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL29823470 0.90 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL29709582 0.90 NR1H4 (1.00) NR1H4FXR2
Px-102 SCHEMBL19633868 0.90 NR1H4 (1.00) NR1H4FXR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952042-B2 FXR (NR1H4) binding and activity modulating compounds PHENEX PHARMACEUTICALS AG (DE) 2015-02-10 — — US claimed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 — — US claimed
EP-2289883-A1 Novel FXR (NR1H4) binding and activity modulating compounds Phenex Pharmaceuticals AG (DE) 2011-03-02 — — 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
US-10077268-B2 FXR agonists and methods for making and using SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-09-18 — — US 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
EP-3267991-A1 TREATING LATENT AUTOIMMUNE DIABETES OF ADULTS WITH FARNESOID X RECEPTOR AGONISTS TO ACTIVATE INTESTINAL RECEPTORS Salk Institute for Biological Studies (US) 2018-01-17 — — EP disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 — — US disclosed
US-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2018-01-04 — — US disclosed
EP-2467366-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-11-12 — — EP disclosed
EP-2467366-B1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2014-11-12 — — EP disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 — — US disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 — — US disclosed
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2012-09-13 — — US disclosed
EP-2467366-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS Phenex Pharmaceuticals AG (DE) 2012-06-27 — — EP disclosed
EP-2289883-A1 Novel FXR (NR1H4) binding and activity modulating compounds Phenex Pharmaceuticals AG (DE) 2011-03-02 — — EP disclosed
WO-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 — — WO disclosed
WO-2011020615-A1 NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS PHENEX PHARMACEUTICALS AG (DE) 2011-02-24 — — 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-20180000768-A1 INTESTINAL FXR AGONISM ENHANCES GLP-1 SIGNALING TO RESTORE PANCREATIC BETA CELL FUNCTIONS GLP1R, GIPR, FXR1 NR1H4 10/4885FXR2 6/4885
US-20180169115-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION NR1H4, FXR2, FXR1 NR1H4 1/4885FXR2 2/4885
US-20120232116-A1 NOVEL FXR (NR1H4) BINDING AND ACTIVITY MODULATING COMPOUNDS NR1H4, NR1H2, NR1H3 NR1H4 1/4885FXR2 5/4885
US-10077268-B2 FXR agonists and methods for making and using NR1H4, FXR2, FXR1 NR1H4 1/4885FXR2 2/4885
US-10071108-B2 Methods and pharmaceutical compositions for the treatment of hepatitis b virus infection NR1H4, FXR2, FXR1 NR1H4 1/4885FXR2 2/4885

“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.

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