SCHEMBL6112430

SCHEMBL6112430

Cc1ncc([C@@H](CCCCCCc2ccc3c(n2)NCC3)CC(=O)O)cn1

nearest known ligand 0.89

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.89
ITGB3 P05106 10/20 0.89
ITGB6 P18564 10/20 0.70
ITGB8 P26012 10/20 0.70

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
SCHEMBL6106306 1.00 ITGAV (0.89) ITGAVITGB3ITGB6ITGB8
SCHEMBL6111953 1.00 ITGAV (0.89) ITGAVITGB3ITGB6ITGB8
SCHEMBL6536085 0.94 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL7318506 0.94 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6106842 0.94 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6108645 0.94 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107105 0.94 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107101 0.94 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL7437065 0.86 ITGAV (0.84) ITGAVITGB3ITGB6ITGB8
SCHEMBL7444216 0.86 ITGAV (0.84) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040019037-A1 Alpha V integrin receptor antagonists ASKEW BEN C (US) 2004-01-29 US claimed
US-20010053853-A1 Alpha V integrin receptor antagonists MERCK & CO., INC. 2001-12-20 US claimed
US-7153862-B2 αv integrin receptor antagonists MERCK & CO., INC. (US) 2006-12-26 US disclosed
US-6693101-B2 ALKANOIC ACID DERIVATIVE; INTEGRIN RECEPTOR ANTAGONIST MERCK & CO., INC. 2004-02-17 US disclosed
US-20040019037-A1 Alpha V integrin receptor antagonists ASKEW BEN C (US) 2004-01-29 US disclosed
US-20010053853-A1 Alpha V integrin receptor antagonists MERCK & CO., INC. 2001-12-20 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-20040019037-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 ITGAV 1/4885ITGB3 4/4885ITGB6 19/4885
US-20010053853-A1 Alpha V integrin receptor antagonists ITGAV, ADGRE5, ITGA5 ITGAV 1/4885ITGB3 4/4885ITGB6 19/4885

“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.