SCHEMBL30487512

SCHEMBL30487512

O=C(N[C@@H](CCN1CC2(CC(CCc3ccc4c(n3)NCCC4)C2)C1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.61
ITGB3 P05106 2/20 0.61
ITGB6 P18564 18/20 0.57

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
SCHEMBL20141734 0.96 ITGAV (0.67) ITGAVITGB3ITGB6
SCHEMBL20141731 0.96 ITGAV (0.67) ITGAVITGB3ITGB6
SCHEMBL23747282 0.90 ITGAV (0.63) ITGAVITGB3ITGB6
SCHEMBL20141149 0.86 ITGAV (0.63) ITGAVITGB3ITGB6
SCHEMBL20141153 0.86 ITGAV (0.63) ITGAVITGB3ITGB6
SCHEMBL23747280 0.85 ITGAV (0.70) ITGAVITGB3ITGB6
SCHEMBL20142136 0.82 ITGAV (0.65) ITGAVITGB3ITGB6
SCHEMBL20142138 0.82 ITGAV (0.65) ITGAVITGB3ITGB6
SCHEMBL21317515 0.81 ITGAV (0.61) ITGAVITGB3ITGB6
SCHEMBL20141838 0.81 ITGAV (0.69) ITGAVITGB3ITGB6

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 ITGAV 4/4885ITGB3 6/4885ITGB6 12/4885

“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.