SCHEMBL6790599

SCHEMBL6790599

NC(=O)C(N)CCCCCCCc1ccc2c(n1)NCCC2

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 20/20 0.60
ITGB3 P05106 16/20 0.60
ITGB6 P18564 4/20 0.58
ITGB8 P26012 1/20 0.55

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
SCHEMBL26971216 0.91 ITGAV (0.61) ITGAVITGB3ITGB6ITGB8
SCHEMBL19953649 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8
SCHEMBL6421086 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8
SCHEMBL21853029 0.91 ITGAV (0.66) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL28570633 0.90 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL21853132 0.90 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL21853057 0.90 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL21853130 0.90 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8
Hydrochloric Acid SCHEMBL21853055 0.90 ITGAV (0.64) ITGAVITGB3ITGB6ITGB8
SCHEMBL24683292 0.87 ITGAV (0.61) ITGAVITGB3ITGB6

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-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.