SCHEMBL24259044

SCHEMBL24259044

CC(C)(C)c1nc(CCCCCO)no1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.34
AOC3 Q16853 2/20 0.30
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM5 P08912 2/20 0.30
CHRM1 P11229 2/20 0.30
CHRM3 P20309 2/20 0.30

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
SCHEMBL24259360 0.88 PIK3CG (0.33) PIK3CG
SCHEMBL24259585 0.87 PIK3CG (0.33) PIK3CG
SCHEMBL4398054 0.85 PIK3CG (0.35) PIK3CGAOC3
SCHEMBL24452460 0.83 HDAC4 (0.41) PIK3CG
SCHEMBL2869278 0.77 NOTUM (0.40) AOC3
SCHEMBL24258725 0.77 TSHR (0.31)
SCHEMBL24602575 0.77 PIK3CG (0.39) PIK3CGCHRM2CHRM4CHRM5CHRM1
SCHEMBL10058001 0.76 ALDH1A1 (0.42) AOC3CHRM2CHRM4CHRM5CHRM1
SCHEMBL24258991 0.75 TSHR (0.39)
SCHEMBL21690696 0.74 CXCR3 (0.31) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 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-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 PIK3CG 2055/4885AOC3 3468/4885CHRM2 1186/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PIK3CG 2055/4885AOC3 3468/4885CHRM2 1186/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 PIK3CG 2400/4885AOC3 3395/4885CHRM2 354/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 PIK3CG 2055/4885AOC3 3468/4885CHRM2 1186/4885

“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.