SCHEMBL20833699

SCHEMBL20833699

C[C@@H]1CC2CC(OCc3c(-c4ccccc4OC(F)(F)F)noc3C3CC3)CC1N2c1nc2ccc(C(=O)NCC(=O)O)cc2s1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 19/20 0.74
▸ FXR2 P51116 1/20 0.52

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
SCHEMBL17145988 0.93 NR1H4 (0.84) NR1H4FXR2
SCHEMBL17848232 0.93 NR1H4 (0.84) NR1H4FXR2
SCHEMBL10263154 0.93 NR1H4 (0.84) NR1H4FXR2
SCHEMBL20833906 0.93 NR1H4 (0.85) NR1H4FXR2
SCHEMBL20833909 0.93 NR1H4 (0.85) NR1H4FXR2
SCHEMBL19189876 0.92 NR1H4 (0.69) NR1H4FXR2
SCHEMBL20833813 0.92 NR1H4 (0.69) NR1H4FXR2
SCHEMBL20833907 0.91 NR1H4 (0.74) NR1H4FXR2
SCHEMBL20833695 0.89 NR1H4 (0.73) NR1H4FXR2
SCHEMBL9955743 0.89 NR1H4 (0.81) NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190083473-A1 AZABICYCLOOCTANE DERIVATIVES AS FXR AGONISTS FOR USE IN THE TREATMENT OF LIVER AND GASTROINTESTINAL DISEASES NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION (GNF) 2019-03-21 — — US 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 (1 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-20190083473-A1 AZABICYCLOOCTANE DERIVATIVES AS FXR AGONISTS FOR USE IN THE TREATMENT OF LIVER AND GASTROINTESTINAL DISEASES NR1H4, FXR1, FXR2 NR1H4 1/4885FXR2 3/4885

“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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