SCHEMBL20158080

SCHEMBL20158080

O=C(O)CC(c1cccc(N2CCOCC2)c1)C1CC(NCCCc2ccc3c(n2)NCCC3)C1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.61
ITGAV P06756 20/20 0.61
ITGB5 P18084 15/20 0.61
ITGB6 P18564 11/20 0.60
ITGB8 P26012 10/20 0.60
ITGB1 P05556 6/20 0.60
ITGA2B P08514 3/20 0.51

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
SCHEMBL20141313 0.89 ITGB3 (0.67) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20140615 0.86 ITGAV (0.59) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21317565 0.84 ITGB3 (0.75) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20141334 0.82 ITGB3 (0.70) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20141176 0.81 ITGAV (0.52) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21294647 0.80 ITGAV (0.64) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL27191187 0.79 ITGAV (0.54) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20139550 0.79 ITGAV (0.62) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL30850702 0.79 ITGAV (0.62) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL20139552 0.79 ITGAV (0.62) ITGB3ITGAVITGB5ITGB6ITGB8

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
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 claimed
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 claimed
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 ITGB3 8/4885ITGAV 2/4885ITGB5 6/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGB3 7/4885ITGAV 2/4885ITGB5 6/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 6/4885ITGAV 4/4885ITGB5 7/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 7/4885ITGAV 4/4885ITGB5 6/4885

“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.