SCHEMBL6831339

SCHEMBL6831339

O=C(O)CC1Cc2ccc(OCCCNc3ccccn3)cc2C1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.72
ITGAV P06756 18/20 0.72
ITGB1 P05556 6/20 0.72
ITGA2B P08514 4/20 0.72
ITGB5 P18084 4/20 0.72
ITGB6 P18564 3/20 0.52
MDM4 O15151 1/20 0.46
MDM2 Q00987 1/20 0.46
ITGA5 P08648 1/20 0.45

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
SCHEMBL6833670 0.92 ITGB3 (0.67) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6419266 0.84 ITGB3 (0.73) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7168382 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL244383 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6657173 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL30894723 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL31321064 0.84 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL328727 0.81 ITGB3 (1.00) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL6419346 0.81 ITGB3 (0.82) ITGB3ITGAVITGB1ITGA2BITGB5
SCHEMBL7076039 0.80 ITGB3 (0.53) ITGB3ITGAVITGB1ITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058915-A1 Compounds containing a bicyclic ring system useful as alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-25 US claimed
EP-1320530-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS Pharmacia Corporation (US) 2003-06-25 EP claimed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 US claimed
WO-2002018377-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 WO claimed
US-20040058915-A1 Compounds containing a bicyclic ring system useful as alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-25 US disclosed
EP-1320530-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS Pharmacia Corporation (US) 2003-06-25 EP disclosed
US-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy PHARMACIA CORPORATION 2002-06-13 US disclosed
WO-2002018377-A1 COMPOUNDS CONTAINING A BICYCLIC RING SYSTEM USEFUL AS ALPHA V BETA 3 ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 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 (2 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-20020072518-A1 For therapy tumor metastasis, tumor growth, solid tumor growth, angiogenesis, osteoporosis, humoral hypercalcemia of malignancy, smooth muscle cell migration, restenosis, atheroscelorosis, macular degeneration, retinopathy ITGB1, ITGB5, ITGB3 ITGB3 3/4885ITGAV 9/4885ITGB1 1/4885
US-20040058915-A1 Compounds containing a bicyclic ring system useful as alpha v beta 3 antagonists ITGB5, ITGB3, ITGAV ITGB3 2/4885ITGAV 3/4885ITGB1 4/4885

“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.