SCHEMBL20157745

SCHEMBL20157745

CCOC(=O)CC(c1ccc(OC)c(F)c1)C1(F)CN(CCCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGAV P06756 6/20 0.39
ITGB6 P18564 2/20 0.37
ITGA2B P08514 1/20 0.37
MCHR1 Q99705 1/20 0.32
ITGB5 P18084 1/20 0.32
ITGB8 P26012 1/20 0.32
LMNA P02545 1/20 0.31
ITGB1 P05556 1/20 0.30
ITGA5 P08648 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
SCHEMBL30487518 1.00 ITGB3 (0.39) ITGB3ITGAVITGB6ITGA2BMCHR1
SCHEMBL21314492 0.92 ITGB3 (0.42) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL23747163 0.84 ITGB3 (0.40) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL29702301 0.84 ITGB3 (0.40) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL22223531 0.83 ITGAV (0.39) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL22223476 0.83 ITGAV (0.39) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL22223532 0.83 ITGAV (0.39) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL29702315 0.82 ITGB3 (0.55) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20141076 0.82 ITGB3 (0.55) ITGB3ITGAVITGB6ITGA2BITGB5
SCHEMBL20158033 0.82 ITGB3 (0.41) ITGB3ITGAVITGB6ITGA2BITGB5

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 6 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-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 2/4885ITGB6 14/4885
US-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGB3 7/4885ITGAV 2/4885ITGB6 15/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 6/4885ITGAV 4/4885ITGB6 12/4885
US-11014922-B2 Cyclobutane- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGB3 7/4885ITGAV 4/4885ITGB6 11/4885

“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.