SCHEMBL6536085

SCHEMBL6536085

Cc1ncc(C(CCCCCCc2ccc3c(n2)NCCC3)CC(=O)O)cn1

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 0.79
ITGB8 P26012 10/20 0.79

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
SCHEMBL6106842 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL7318506 1.00 ITGAV (1.00) ITGAVITGB3ITGB6ITGB8
SCHEMBL6108645 0.97 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107101 0.97 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL6107105 0.97 ITGAV (0.95) ITGAVITGB3ITGB6ITGB8
SCHEMBL6112430 0.94 ITGAV (0.89) ITGAVITGB3ITGB6ITGB8
SCHEMBL6106306 0.94 ITGAV (0.89) ITGAVITGB3ITGB6ITGB8
SCHEMBL6111953 0.94 ITGAV (0.89) ITGAVITGB3ITGB6ITGB8
SCHEMBL7437065 0.91 ITGAV (0.84) ITGAVITGB3ITGB6ITGB8
SCHEMBL7443148 0.91 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6444680-B1 FOR USE IN THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS AND FOR THE TREATMENT OF VASCULAR RESTENOSIS, MACULAR DEGENERATION, DIABETIC RETINOPATHY, ATHEROSCLEROSIS, INFLAMMATORY ARTHRITIS, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-09-03 US claimed
WO-2002053099-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO., INC. (US) 2002-07-11 WO claimed
US-20020065291-A1 Amine salts of an integrin receptor antagonist MERCK & CO., INC. 2002-05-30 US 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-20220370545-A1 INTEGRIN RECEPTOR ALPHA V BETA 3 AND ITS LIGAND INVOLVED IN CHRONIC ITCH NORTH CAROLINA STATE UNIVERSITY 2022-11-24 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
US-6764842-B2 Enantioselective bioreduction for the preparation of integrin receptor antagonist intermediates MERCK & CO., INC. 2004-07-20 US disclosed
EP-1349548-A4 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO INC (US) 2004-06-02 EP disclosed
US-20040053968-A1 Methods and compositions for treating peridontal disease HARTMAN GEORGE D (US) 2004-03-18 US disclosed
US-6444680-B1 FOR USE IN THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS AND FOR THE TREATMENT OF VASCULAR RESTENOSIS, MACULAR DEGENERATION, DIABETIC RETINOPATHY, ATHEROSCLEROSIS, INFLAMMATORY ARTHRITIS, CANCER, AND METASTATIC TUMOR GROWTH MERCK & CO., INC. 2002-09-03 US disclosed
WO-2002053099-A2 METHODS AND COMPOSITIONS FOR TREATING PERIODONTAL DISEASE MERCK & CO., INC. (US) 2002-07-11 WO disclosed
US-20020065291-A1 Amine salts of an integrin receptor antagonist MERCK & CO., INC. 2002-05-30 US disclosed
US-20020065291-A1 Amine salts of an integrin receptor antagonist MERCK & CO., INC. 2002-05-30 US disclosed
US-20020040030-A1 Alpha V integrin receptor antagonists COLEMAN PAUL J (US) 2002-04-04 US disclosed
WO-2002022616-A2 ALPHA V INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2002-03-21 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 (6 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-20020065291-A1 Amine salts of an integrin receptor antagonist ITGB3, ADGRE5, ITGA5 ITGAV 14/4885ITGB3 1/4885ITGB6 9/4885
US-20190307735-A1 Composition and Methods for Treating Chronic Kidney Disease ITGAM, ITGB1, ITGB2 ITGAV 5/4885ITGB3 9/4885ITGB6 24/4885
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.