SCHEMBL6421664

SCHEMBL6421664

O=[C]CCCCCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.56
ITGB3 P05106 18/20 0.56
ITGB6 P18564 3/20 0.50
ITGB5 P18084 1/20 0.49
ITGB8 P26012 1/20 0.49
ITGA2B P08514 1/20 0.49

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
SCHEMBL7414995 0.95 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21766819 0.82 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21784996 0.82 ITGAV (0.59) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL21329134 0.82 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL7122150 0.82 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL6421668 0.82 ITGAV (0.56) ITGAVITGB3ITGB6ITGB5ITGB8
Hydrochloric Acid SCHEMBL3221129 0.81 ITGAV (0.55) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5848885 0.81 ITGAV (0.52) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL12807006 0.81 ITGAV (0.58) ITGAVITGB3ITGB6ITGB5ITGB8
SCHEMBL5797120 0.81 ITGAV (0.60) ITGAVITGB3ITGB6ITGB5ITGB8

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6784190-B2 USEFUL FOR INHIBITING BONE RESORPTION, TREATING AND PREVENTING OSTEOPOROSIS, VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, TUMOR, ATHEROSCLEROSIS, INFLAMMATION, WOUND HEALING, VIRAL DISEASEDISEASE, TUMOR MERCK & CO., INC. 2004-08-31 US 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
EP-1040098-A1 INTEGRIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-10-04 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
WO-1999031061-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 (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-20020010176-A1 Integrin receptor antagonists ITGAV, ITGB3, ADGRE5 ITGAV 1/4885ITGB3 2/4885ITGB6 9/4885

“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.