SCHEMBL6910366

SCHEMBL6910366

O=C(O)[C@H](CCCCCCCc1ccc2c(n1)NCCC2)c1cncnc1

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.76
ITGB3 P05106 17/20 0.76
ITGB6 P18564 3/20 0.57
ITGB8 P26012 1/20 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
SCHEMBL6910373 1.00 ITGAV (0.76) ITGAVITGB3ITGB6ITGB8
SCHEMBL7564709 1.00 ITGAV (0.76) ITGAVITGB3ITGB6ITGB8
SCHEMBL6792810 0.97 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8
SCHEMBL6792804 0.97 ITGAV (0.72) ITGAVITGB3ITGB6ITGB8
SCHEMBL5301316 0.88 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL5301326 0.88 ITGAV (0.77) ITGAVITGB3ITGB6ITGB8
SCHEMBL6422506 0.86 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6422511 0.86 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6359092 0.86 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL5301988 0.86 ITGAV (0.78) ITGAVITGB3ITGB6ITGB8

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
US-6750220-B2 OSTEOPOROSIS, RESTENOSIS, ANTIINFLAMMATORY AGENTS MERCK & CO., INC. 2004-06-15 US disclosed
US-20030004171-A1 Amine salt of an integrin receptor antagonist MERCK SHARP & DOHME CORP. 2003-01-02 US disclosed
WO-2002102374-A1 AMINE SALT OF AN INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. (US) 2002-12-27 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-20030004171-A1 Amine salt of an integrin receptor antagonist ITGB3, ITGA1, ITGAV ITGAV 3/4885ITGB3 1/4885ITGB6 15/4885

“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.