SCHEMBL6360770

SCHEMBL6360770

O=C(O)C[C@@H](c1ccc2c(c1)OCC2)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 1.00
ITGB3 P05106 18/20 1.00
ITGB6 P18564 5/20 0.71
ITGB8 P26012 4/20 0.71
ITGB1 P05556 2/20 0.69
ITGA2B P08514 2/20 0.69
ITGA5 P08648 1/20 0.69
ITGB5 P18084 1/20 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
SCHEMBL6432237 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6433051 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL2786763 0.96 ITGAV (0.93) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6431919 0.90 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6431924 0.90 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432359 0.90 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6434481 0.90 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432362 0.90 ITGAV (0.82) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432370 0.90 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB1
SCHEMBL6432379 0.90 ITGAV (0.81) ITGAVITGB3ITGB6ITGB8ITGB1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040111-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-06-22 EP claimed
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2005-01-06 US claimed
EP-1349548-A4 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO INC (US) 2004-06-02 EP claimed
US-20040053968-A1 Methods and compositions for treating peridontal disease HARTMAN GEORGE D (US) 2004-03-18 US claimed
EP-1349548-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE Merck & Co., Inc. (US) 2003-10-08 EP claimed
EP-1322311-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST Merck & Co., Inc. (US) 2003-07-02 EP claimed
WO-2002053099-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO., INC. (US) 2002-07-11 WO claimed
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2002-04-04 US claimed
WO-2002022124-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST MERCK & CO., INC. (US) 2002-03-21 WO claimed
EP-1040111-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-10-04 EP claimed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 WO claimed
US-9572801-B2 Tetrahydronaphthyridinyl propionic acid derivatives and uses thereof SCIFLUOR LIFE SCIENCES, INC. (US) 2017-02-21 US disclosed
US-9572801-B2 Tetrahydronaphthyridinyl propionic acid derivatives and uses thereof SCIFLUOR LIFE SCIENCES, INC. (US) 2017-02-21 US disclosed
US-20160317527-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. 2016-11-03 US disclosed
WO-2016176532-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF SCIFLUOR LIFE SCIENCES, INC. (US) 2016-11-03 WO disclosed
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist HARTMAN GEORGE (US) 2002-04-04 US disclosed
WO-2002022124-A1 TREATMENT OF INFLAMMATION WITH A COMBINATION OF A CYCLOOXYGENASE-2 INHIBITOR AND AN INTEGRIN ALPHA-V ANTAGONIST MERCK & CO., INC. (US) 2002-03-21 WO disclosed
EP-1040111-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-10-04 EP disclosed
US-6017926-A Integrin receptor antagonists MERCK & CO., INC. (US) 2000-01-25 US disclosed
WO-1999031099-A1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1999-06-24 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 (4 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-20160317527-A1 TETRAHYDRONAPHTHYRIDINYL PROPIONIC ACID DERIVATIVES AND USES THEREOF CPT1A, CFTR, SLC10A1 ITGAV 838/4885ITGB3 711/4885ITGB6 968/4885
US-20020040039-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGA2 ITGAV 1/4885ITGB3 9/4885ITGB6 15/4885
US-20050004199-A1 Treatment of inflammation with a combination of a cyclooxygenase-2 inhibitor and an integrin alpha-v antagonist ITGAV, ITGA5, ITGB5 ITGAV 1/4885ITGB3 8/4885ITGB6 13/4885
US-20040053968-A1 Methods and compositions for treating peridontal disease ITGB3, ITGB5, ITGB2 ITGAV 11/4885ITGB3 1/4885ITGB6 14/4885

“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.