SCHEMBL3536444

SCHEMBL3536444

O=C(O)CC(NC(=O)C1CCN(C(=O)CCCNc2ccccn2)CC1)c1ccc2c(c1)OCO2

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 19/20 0.71
ITGAV P06756 16/20 0.71
ITGA2B P08514 13/20 0.71
ITGB5 P18084 2/20 0.54
F2R P25116 1/20 0.52
DRD2 P14416 1/20 0.44
ITGB6 P18564 1/20 0.44

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
SCHEMBL2924578 0.86 ITGB3 (0.75) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL13344593 0.84 ITGB3 (0.71) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL13344605 0.83 ITGB3 (0.72) ITGB3ITGAVITGA2BITGB5ITGB6
SCHEMBL2922341 0.83 ITGB3 (1.00) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL3539083 0.82 ITGB3 (0.77) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL2924877 0.79 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL2905930 0.77 ITGB3 (0.85) ITGB3ITGAVITGA2BF2R
SCHEMBL13344630 0.75 ITGB3 (0.54) ITGB3ITGAVITGA2B
SCHEMBL3534841 0.75 ITGB3 (0.60) ITGB3ITGAVITGA2BITGB5F2R
SCHEMBL13344588 0.74 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB5F2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US claimed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP claimed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP claimed
EP-1533310-A1 Isonipecotamides for the treatment of integrin-mediated disorders Ortho-McNeil Pharmaceutical, Inc. (US) 2005-05-25 EP claimed
US-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders COSTANZO MICHAEL J (US) 2003-09-25 US claimed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
US-7718673-B2 Isonipecotamides for the treatment of integrin-mediated disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2010-05-18 US disclosed
EP-1133489-B9 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2006-05-03 EP disclosed
EP-1133489-B1 ISONIPECOTAMIDES FOR THE TREATMENT OF INTEGRIN-MEDIATED DISORDERS ORTHO MCNEIL PHARM INC (US) 2005-07-27 EP 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-20030181440-A1 Isonipecotamides for the treatment of integrin-mediated disorders ITGB2, ITGA1, ITGB1 ITGB3 9/4885ITGAV 7/4885ITGA2B 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.