SCHEMBL23866240

SCHEMBL23866240

CC(C)COC(=O)N1C2CC[C@H]1C[C@@H](O)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 9/20 0.54
CHRM2 P08172 1/20 0.54
CHRM3 P20309 1/20 0.54
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
POLB P06746 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
TYK2 P29597 2/20 0.36
JAK3 P52333 2/20 0.36
P2RX4 Q99571 1/20 0.35
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL21456719 1.00 CHRM1 (0.54) CHRM1CHRM2CHRM3RAB9ALMNA
SCHEMBL15139540 0.87 RAB9A (0.44) CHRM1CHRM2CHRM3RAB9APOLB
SCHEMBL12988993 0.85 RAB9A (0.43) CHRM1CHRM2CHRM3RAB9AGPR119
SCHEMBL12086284 0.84 RAB9A (0.42) CHRM1CHRM2CHRM3RAB9AGPR119
SCHEMBL12083967 0.83 CHRM1 (0.43) CHRM1CHRM2CHRM3RAB9AGPR119
SCHEMBL2191074 0.82 CHRM1 (0.61) CHRM1CHRM2CHRM3LMNACYP2C9
SCHEMBL2999610 0.80 RAB9A (0.44) CHRM1RAB9APOLBGPR119JAK2
SCHEMBL13644099 0.79 CHRM1 (0.40) CHRM1CHRM2CHRM3RAB9AGPR119
SCHEMBL14145633 0.78 CHRM1 (0.56) CHRM1CHRM2CHRM3LMNACYP2C9
SCHEMBL21932939 0.77 CHRM2 (0.59) CHRM1CHRM2CHRM3LMNACYP2C9

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-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

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-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CHRM1 492/4885CHRM2 1180/4885CHRM3 1795/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CHRM1 492/4885CHRM2 1180/4885CHRM3 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.