SCHEMBL20501573

SCHEMBL20501573

CNC(=O)OCC(O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
CYP2D6 P10635 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
NFKB1 P19838 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
EPHX1 P07099 1/20 0.39
CYP1A2 P05177 1/20 0.37
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 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
SCHEMBL18650145 0.84 CHRNB2 (0.48) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL9975571 0.82
SCHEMBL5244737 0.82
SCHEMBL20718323 0.80 CHRNB2 (0.46) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL13347915 0.79 CHRNB2 (0.45) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL967608 0.79
SCHEMBL19853430 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL13017831 0.77 CHRNB2 (0.47) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL15249606 0.77 CHRNB2 (0.46) CHRNB2CHRNA4CYP2D6CHRM2CHRM4
SCHEMBL22436233 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3609888-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF Metacrine, Inc. (US) 2020-02-19 EP claimed
WO-2018170182-A1 FARNESOID X RECEPTOR AGONISTS AND USES THEREOF METACRINE, INC. (US) 2018-09-20 WO claimed
US-11236071-B1 Farnesoid X receptor agonists and uses thereof METACRINE, INC. (US) 2022-02-01 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-11236071-B1 Farnesoid X receptor agonists and uses thereof NR1H4, NR1H2, NR1H3 CHRNB2 1769/4885CHRNA4 2175/4885CYP2D6 1529/4885

“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.