SCHEMBL22029465

SCHEMBL22029465

COc1ccc(C(CCNC(=O)CCCCc2ccc3c(n2)NCCC3)C(=O)OC(C)(C)C)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.59
ITGB3 P05106 18/20 0.59
ITGB6 P18564 7/20 0.52
ITGB8 P26012 5/20 0.52
ITGB5 P18084 4/20 0.52
ITGB1 P05556 2/20 0.51
ITGA5 P08648 2/20 0.51
ITGA2B P08514 3/20 0.50

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
SCHEMBL22029493 0.91 ITGAV (0.54) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL22029440 0.90 ITGAV (0.65) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL29482189 0.86 ITGAV (0.71) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL22029489 0.81 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL22029467 0.81 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL24872286 0.80 ITGAV (0.65) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL22029437 0.78 ITGAV (0.69) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL19825653 0.78 ITGAV (0.62) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL18104630 0.78 ITGAV (0.62) ITGAVITGB3ITGB6ITGB8ITGB5
SCHEMBL21705490 0.77 ITGAV (0.71) ITGAVITGB3ITGB6ITGB8ITGB5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3481814-B1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS UNIV ROCKEFELLER (US) 2022-04-27 EP disclosed
US-11192889-B2 Tetrahydronaphthyridinepentanamide integrin antagonists THE ROCKEFELLER UNIVERSITY (US) 2021-12-07 US disclosed
US-20200181138-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2020-06-11 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 (2 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-20200181138-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS ITGAV, ITGB3, ITGA4 ITGAV 1/4885ITGB3 2/4885ITGB6 21/4885
US-11192889-B2 Tetrahydronaphthyridinepentanamide integrin antagonists ITGAV, ITGB3, ITGA4 ITGAV 1/4885ITGB3 2/4885ITGB6 21/4885

“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.