SCHEMBL21706071

SCHEMBL21706071

O=C(O)CCCNC(=O)CCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.90

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.90
ITGAV P06756 20/20 0.90
ITGB5 P18084 11/20 0.64
ITGB6 P18564 10/20 0.64
ITGB8 P26012 10/20 0.64

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
SCHEMBL22029444 0.98 ITGB3 (0.90) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6421618 0.95 ITGB3 (1.00) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL15397316 0.90 ITGB3 (0.79) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL21329747 0.89 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6422102 0.89 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL20487381 0.89 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6425719 0.89 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL6422552 0.89 ITGB3 (0.77) ITGB3ITGAVITGB5ITGB6ITGB8
SCHEMBL24363119 0.88 ITGB3 (0.73) ITGB3ITGAVITGB5ITGB6ITGB8
Hydrochloric Acid SCHEMBL6792186 0.88 ITGB3 (0.76) ITGB3ITGAVITGB5ITGB6ITGB8

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 7 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
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-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
US-20200181138-A1 TETRAHYDRONAPHTHYRIDINEPENTANAMIDE INTEGRIN ANTAGONISTS THE ROCKEFELLER UNIVERSITY (US) 2020-06-11 US disclosed
WO-2020033724-A1 INTEGRIN ANTAGONISTS THE GENERAL HOSPITAL CORPORATION (US) 2020-02-13 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 (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 ITGB3 2/4885ITGAV 1/4885ITGB5 6/4885
US-11192889-B2 Tetrahydronaphthyridinepentanamide integrin antagonists ITGAV, ITGB3, ITGA4 ITGB3 2/4885ITGAV 1/4885ITGB5 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.