SCHEMBL30487514

SCHEMBL30487514

COc1ccc(C(CC(=O)OC(C)(C)C)C2CC(CCC=O)C2)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.37
GPR119 Q8TDV5 1/20 0.32
LMNA P02545 1/20 0.32
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM1A O60341 1/20 0.31
OXTR P30559 1/20 0.31
ITGB3 P05106 3/20 0.31
ITGAV P06756 3/20 0.31
FFAR1 O14842 1/20 0.30
NR3C1 P04150 1/20 0.30
ACACB O00763 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA4 P13612 1/20 0.30
ITGA2B P08514 1/20 0.30
ITGB5 P18084 1/20 0.30
NNMT P40261 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
SCHEMBL20158099 1.00 CHRNA7 (0.37) CHRNA7GPR119LMNAMMP13MEN1
SCHEMBL21317544 0.91 CHRNA7 (0.36) CHRNA7GPR119MMP13OXTRITGB3
SCHEMBL20158102 0.87 CHRNA7 (0.39) CHRNA7GPR119MMP13ITGB3ITGAV
SCHEMBL20158097 0.87 CHRNA7 (0.39) CHRNA7GPR119LMNAMMP13OXTR
SCHEMBL20139821 0.87 CHRNA7 (0.39) CHRNA7ITGB3ITGAVFFAR1ITGB1
SCHEMBL20158100 0.86 CHRNA7 (0.39) CHRNA7GPR119LMNAMMP13MEN1
SCHEMBL20158106 0.85 CHRNA7 (0.36) CHRNA7GPR119MMP13OXTRITGB3
SCHEMBL20158098 0.83 CHRNA7 (0.35) CHRNA7GPR119OXTRITGB3ITGAV
SCHEMBL30487531 0.81 CHRNA7 (0.39) CHRNA7GPR119MMP13MEN1KMT2A
SCHEMBL20158105 0.81 CHRNA7 (0.39) CHRNA7GPR119MMP13MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 862/4885GPR119 243/4885LMNA 2992/4885

“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.