SCHEMBL5248517

SCHEMBL5248517

CN(C)c1ncc([C@@H](CC(=O)O)CC(F)(F)CCCCc2ccc3c(n2)NCCC3)cn1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGAV P06756 20/20 0.64
▸ ITGB6 P18564 11/20 0.64
▸ ITGB8 P26012 11/20 0.64
▸ ITGB3 P05106 9/20 0.62
▸ ITGB5 P18084 1/20 0.53

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
SCHEMBL5250641 1.00 ITGAV (0.64) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5248510 1.00 ITGAV (0.64) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5246207 0.91 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5251152 0.91 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5248734 0.91 ITGAV (0.75) ITGAVITGB6ITGB8ITGB3ITGB5
SCHEMBL5249268 0.90 ITGAV (0.70) ITGAVITGB6ITGB8ITGB3
SCHEMBL5250606 0.90 ITGAV (0.76) ITGAVITGB6ITGB8ITGB3
SCHEMBL5250644 0.90 ITGAV (0.76) ITGAVITGB6ITGB8ITGB3
SCHEMBL5248833 0.90 ITGAV (0.70) ITGAVITGB6ITGB8ITGB3
SCHEMBL5248837 0.90 ITGAV (0.70) ITGAVITGB6ITGB8ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315501-B1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-02-07 — — EP disclosed
US-7056909-B2 Alpha v integrin receptor antagonists MERCK & CO., INC. (US) 2006-06-06 — — US disclosed
EP-1315501-A4 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-03-23 — — EP disclosed
US-20040038963-A1 Alpha v integrin receptor antagonists MERCK SHARP & DOHME CORP. 2004-02-26 — — US disclosed
EP-1315501-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2003-06-04 — — EP disclosed
WO-2002007730-A1 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-01-31 — — 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 (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-20040038963-A1 Alpha v integrin receptor antagonists ITGAV, ADGRE5, ITGB3 ITGAV 1/4885ITGB6 19/4885ITGB8 28/4885

“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.

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