SCHEMBL6359092

SCHEMBL6359092

O=C(O)C[C@H](CCCCCCc1ccc2c(n1)NCCC2)c1cncnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 1.00
ITGB3 P05106 10/20 1.00
ITGB6 P18564 10/20 0.76
ITGB8 P26012 10/20 0.76

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
SCHEMBL6422511 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6422506 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107608 0.97 ITGAV (0.94) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107292 0.97 ITGAV (0.94) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107289 0.97 ITGAV (0.94) ITGAVITGB3ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6422659 0.95 ITGAV (0.90) ITGAVITGB3ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6421286 0.95 ITGAV (0.90) ITGAVITGB3ITGB6ITGB8
Trifluoroacetic Acid SCHEMBL6422214 0.95 ITGAV (0.90) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421258 0.91 ITGAV (0.83) ITGAVITGB3ITGB6ITGB8
SCHEMBL6357539 0.91 ITGAV (0.83) 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 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
US-20040053968-A1 Methods and compositions for treating peridontal disease HARTMAN GEORGE D (US) 2004-03-18 US 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
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
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US claimed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US claimed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2019-10-10 US disclosed
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease MERCK SHARP & DOHME CORP (US) 2018-04-26 US disclosed
WO-2016154369-A1 COMPOSITION AND METHODS FOR TREATING CHRONIC KIDNEY DISEASE MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
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 disclosed
US-20020040030-A1 Alpha V integrin receptor antagonists COLEMAN PAUL J (US) 2002-04-04 US 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
US-20020010176-A1 Integrin receptor antagonists MERCK SHARP & DOHME CORP. 2002-01-24 US disclosed
US-6297249-B1 SUBSTITUTED 2-CARBOXYALKYLPYRIDINES MERCK & CO., INC. 2001-10-02 US disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 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 (7 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-20020040030-A1 Alpha V integrin receptor antagonists VCAM1, ITGAV, ITGB1 ITGAV 2/4885ITGB3 5/4885ITGB6 19/4885
US-20180110762-A1 Compositions Methods for Treating Chronic Kidney Disease ITGAM, ITGAL, ITGB1 ITGAV 9/4885ITGB3 8/4885ITGB6 27/4885
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 ITGAV 5/4885ITGB3 9/4885ITGB6 24/4885
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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGAV 1/4885ITGB3 2/4885ITGB6 9/4885
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.