SCHEMBL21456554

SCHEMBL21456554

CC[C@H]1C[C@@H](O)C[C@@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.54
CHRM1 P11229 1/20 0.54
CHRM3 P20309 1/20 0.54
CETP P11597 6/20 0.41
NR1H2 P55055 1/20 0.37
PREP P48147 3/20 0.35
CTSK P43235 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.31
EPHX2 P34913 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
SCHEMBL14668817 0.86 CHRM2 (0.44) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL29153076 0.85 CHRM2 (0.66) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL17187734 0.85 CHRM2 (0.66) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL29964794 0.85 CHRM2 (0.66) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL9311803 0.85 CHRM2 (0.66) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL23807839 0.85 CHRM2 (0.66) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL21317463 0.85 CHRM2 (0.51) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL13845643 0.84 CHRM2 (0.42) CHRM2CHRM1CHRM3CETPNR1H2
SCHEMBL30501783 0.83 CHRM2 (0.49) CHRM2CHRM1CHRM3NR1H2PREP
SCHEMBL14047316 0.82 NR1H2 (0.51) CHRM2CHRM1CHRM3CETPNR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 CHRM2 1180/4885CHRM1 492/4885CHRM3 1795/4885
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CHRM2 1180/4885CHRM1 492/4885CHRM3 1795/4885

“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.