SCHEMBL20158098

SCHEMBL20158098

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.35
ITGB3 P05106 11/20 0.34
ITGAV P06756 11/20 0.34
OXTR P30559 2/20 0.32
GPR119 Q8TDV5 1/20 0.32
ITGA2B P08514 1/20 0.30
ITGB5 P18084 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
SCHEMBL20158102 0.88 CHRNA7 (0.39) CHRNA7ITGB3ITGAVGPR119ITGA2B
SCHEMBL20140412 0.88 CHRNA7 (0.37) CHRNA7ITGB3ITGAVOXTRITGA2B
SCHEMBL20158106 0.87 CHRNA7 (0.36) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL20158097 0.84 CHRNA7 (0.39) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL20158099 0.83 CHRNA7 (0.37) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL30487514 0.83 CHRNA7 (0.37) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL21317544 0.83 CHRNA7 (0.36) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL20158105 0.81 CHRNA7 (0.39) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL30487531 0.81 CHRNA7 (0.39) CHRNA7ITGB3ITGAVOXTRGPR119
SCHEMBL20158100 0.79 CHRNA7 (0.39) CHRNA7ITGB3ITGAVOXTRGPR119

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 7 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
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 656/4885ITGB3 8/4885ITGAV 2/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 CHRNA7 673/4885ITGB3 7/4885ITGAV 2/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 862/4885ITGB3 6/4885ITGAV 4/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CHRNA7 895/4885ITGB3 7/4885ITGAV 4/4885

“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.