SCHEMBL24259474

SCHEMBL24259474

C=CC(CCCc1nc(C2CC2)no1)CNc1cc(-c2ccc3nc(C)sc3c2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.35
OPRK1 P41145 2/20 0.33
ROCK2 O75116 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
PCSK9 Q8NBP7 1/20 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
SCHEMBL22354115 0.84 NR1H4 (0.38) NR1H4OPRK1ROCK2
SCHEMBL24451766 0.72 NR1H4 (0.44) NR1H4
SCHEMBL22347168 0.72 NR1H4 (0.54) NR1H4
SCHEMBL22354171 0.69 NR1H4 (0.37) NR1H4OPRK1TBK1
SCHEMBL24258899 0.65 USP30 (0.40) NR1H4
SCHEMBL24451763 0.64 NR1H4 (0.55) NR1H4
SCHEMBL24259274 0.63 NR1H4 (0.53) NR1H4
SCHEMBL24452379 0.63 NR1H4 (0.54) NR1H4
SCHEMBL22353628 0.61 ITGB3 (0.35)
SCHEMBL22347824 0.60 NR1H4 (0.60) 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 3 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-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 (3 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 NR1H4 2/4885OPRK1 210/4885ROCK2 1070/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885OPRK1 210/4885ROCK2 1070/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 NR1H4 2/4885OPRK1 210/4885ROCK2 1070/4885

“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.