SCHEMBL20158097

SCHEMBL20158097

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.39
GPR119 Q8TDV5 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MMP13 P45452 1/20 0.33
NR1H2 P55055 1/20 0.33
NNMT P40261 1/20 0.33
OXTR P30559 2/20 0.33
ITGB3 P05106 1/20 0.33
ITGAV P06756 1/20 0.33
NR3C1 P04150 1/20 0.32
FFAR1 O14842 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL20158102 0.88 CHRNA7 (0.39) CHRNA7GPR119MMP13ITGB3ITGAV
SCHEMBL20158099 0.87 CHRNA7 (0.37) CHRNA7GPR119LMNAMMP13NNMT
SCHEMBL30487514 0.87 CHRNA7 (0.37) CHRNA7GPR119LMNAMMP13NNMT
SCHEMBL20158100 0.86 CHRNA7 (0.39) CHRNA7GPR119LMNAMMP13NNMT
SCHEMBL21317544 0.86 CHRNA7 (0.36) CHRNA7GPR119MMP13OXTRITGB3
SCHEMBL30487531 0.86 CHRNA7 (0.39) CHRNA7GPR119KDM4EALDH1A1RAB9A
SCHEMBL20158105 0.86 CHRNA7 (0.39) CHRNA7GPR119KDM4EALDH1A1RAB9A
SCHEMBL20140528 0.85 CHRNA7 (0.43) CHRNA7LMNAKDM4ENPC1ALDH1A1
SCHEMBL20158106 0.85 CHRNA7 (0.36) CHRNA7GPR119MMP13OXTRITGB3
SCHEMBL20158098 0.84 CHRNA7 (0.35) CHRNA7GPR119OXTRITGB3ITGAV

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 8 patents. 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
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
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
CN-110167934-B Cyclobutane-and azetidine-containing monocyclic and spiro compounds as alpha V integrin inhibitors 百时美施贵宝公司 2022-06-10 CN disclosed
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-08-12 US disclosed
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-25 US disclosed
US-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-09-05 US disclosed
WO-2018089355-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO 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-20190270741-A1 CYCLOBUTANE- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CHRNA7 656/4885GPR119 324/4885LMNA 2861/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CHRNA7 673/4885GPR119 248/4885LMNA 2806/4885
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
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 895/4885GPR119 350/4885LMNA 3224/4885

“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.