SCHEMBL24258899

SCHEMBL24258899

COc1cc(-c2ccnc(NCCCCCc3nc(C4CC4)no3)c2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.40
NR1H4 Q96RI1 2/20 0.39
ITGB3 P05106 5/20 0.38
ITGAV P06756 5/20 0.38
ITGA2B P08514 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ACVR2A P27037 1/20 0.35
TGFBR1 P36897 1/20 0.35
TGFBR2 P37173 1/20 0.35
S1PR1 P21453 2/20 0.34
HRH4 Q9H3N8 2/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
TLR8 Q9NR97 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
MKNK2 Q9HBH9 1/20 0.33

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
SCHEMBL22354171 0.81 NR1H4 (0.37) NR1H4ITGB3ITGAVITGA2BTGFBR1
SCHEMBL22353628 0.81 ITGB3 (0.35) ITGB3ITGAVITGA2BMTNR1AMTNR1B
SCHEMBL22354115 0.81 NR1H4 (0.38) NR1H4ITGB3ITGAVITGA2B
SCHEMBL24259091 0.80 NR1H4 (0.36) USP30NR1H4MTNR1AMTNR1B
SCHEMBL24452455 0.75 MTNR1A (0.50) NR1H4MTNR1AMTNR1B
SCHEMBL22353965 0.75 NR1H4 (0.44) NR1H4MTNR1AMTNR1B
SCHEMBL22347388 0.74 NR1H4 (0.57) NR1H4
SCHEMBL24452215 0.73 CNR1 (0.41) USP30NR1H4S1PR1
SCHEMBL22353560 0.73 NR1H4 (0.54) NR1H4
SCHEMBL24259063 0.73 NR1H4 (0.41) USP30NR1H4

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 USP30 4617/4885NR1H4 2/4885ITGB3 2009/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 USP30 4617/4885NR1H4 2/4885ITGB3 2009/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 USP30 4617/4885NR1H4 2/4885ITGB3 2009/4885

“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.