SCHEMBL20158095

SCHEMBL20158095

Cc1ncc(C(CC(=O)O)N2CCC(CCc3ccc4c(n3)NCCC4)CC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.65
ITGAV P06756 20/20 0.65
ITGB5 P18084 18/20 0.65
ITGA2B P08514 1/20 0.65
ITGB1 P05556 4/20 0.59
ITGB6 P18564 2/20 0.55
ITGB8 P26012 2/20 0.55
ITGA5 P08648 1/20 0.55
KCNH2 Q12809 1/20 0.54

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
SCHEMBL20158291 0.92 ITGB3 (0.63) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20157760 0.88 ITGAV (0.71) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL21314479 0.88 ITGB3 (0.58) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL21314412 0.86 ITGAV (0.69) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL21317496 0.86 ITGAV (0.69) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20157736 0.86 ITGAV (0.69) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20141416 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20141009 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20158390 0.83 ITGB3 (0.60) ITGB3ITGAVITGB5ITGA2BITGB1
SCHEMBL20158096 0.82 ITGAV (0.77) ITGB3ITGAVITGB5ITGB1ITGB6

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 5 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-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.