SCHEMBL21456718

SCHEMBL21456718

O=C(Cl)c1c(C2CCC3(CC2)CC3)noc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 13/20 0.41
GPBAR1 Q8TDU6 1/20 0.31

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
SCHEMBL21435654 0.90 NR1H4 (0.46) NR1H4
SCHEMBL30525832 0.77 NR1H4 (0.50) NR1H4
SCHEMBL21435594 0.77 NR1H4 (0.50) NR1H4
SCHEMBL21435596 0.77 NR1H4 (0.50) NR1H4
SCHEMBL21435591 0.77 NR1H4 (0.50) NR1H4
SCHEMBL9957436 0.77 NR1H4 (0.37) NR1H4GPBAR1
SCHEMBL9956645 0.73 CNR2 (0.36) NR1H4
SCHEMBL20031349 0.73 NR1H4 (0.34) NR1H4
SCHEMBL9957376 0.73 NR1H4 (0.43) NR1H4
SCHEMBL20853741 0.73 NR1H4 (0.41) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 US disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 US disclosed
US-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2021-08-17 US disclosed
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. 2019-10-10 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 (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-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 NR1H4 3/4885GPBAR1 9/4885
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 NR1H4 3/4885GPBAR1 9/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 NR1H4 3/4885GPBAR1 9/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 NR1H4 3/4885GPBAR1 9/4885

“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.