SCHEMBL23747240

SCHEMBL23747240

CN[C@@H](COC1CN(CCCc2ccc3c(n2)N(C(=O)OC(C)(C)C)CCC3)C1)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 16/20 0.38
ITGB6 P18564 16/20 0.38
PRMT5 O14744 3/20 0.35
WDR77 Q9BQA1 3/20 0.35
MPO P05164 1/20 0.32

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
SCHEMBL20158203 0.88 ITGAV (0.43) ITGAVITGB6
SCHEMBL21317512 0.87 ITGAV (0.39) ITGAVITGB6PRMT5WDR77
SCHEMBL27406341 0.84 ITGAV (0.35) ITGAVITGB6PRMT5WDR77
SCHEMBL20158213 0.81 ITGAV (0.36) ITGAVITGB6MPO
SCHEMBL29702407 0.81 ITGAV (0.36) ITGAVITGB6MPO
SCHEMBL27406231 0.80 PRMT5 (0.38) ITGAVITGB6PRMT5WDR77
SCHEMBL27406000 0.79 ALDH1A1 (0.38) ITGAVITGB6
SCHEMBL20141376 0.78 ITGAV (0.44) ITGAVITGB6PRMT5WDR77MPO
SCHEMBL30474568 0.77 ITGAV (0.37) ITGAVITGB6MPO
SCHEMBL27405997 0.77 SLC6A1 (0.41)

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-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

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-20210246136-A1 CYCLOBUTANES- AND AZETIDINE-CONTAINING MONO AND SPIROCYCLIC COMPOUNDS AS ALPHA V INTEGRIN INHIBITORS ITGB1, ITGAV, ITGA1 ITGAV 2/4885ITGB6 15/4885PRMT5 3357/4885

“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.