SCHEMBL3221473

SCHEMBL3221473

CN1C(=O)c2ccccc2C(CC(=O)O)c2ccc(C(=O)NCCCNc3ccccn3)cc21

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.65
ITGAV P06756 14/20 0.65
ITGA2B P08514 8/20 0.51
DRD2 P14416 5/20 0.44
LMNA P02545 1/20 0.40
DRD3 P35462 1/20 0.39

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
SCHEMBL3230635 0.85 ITGB3 (0.60) ITGB3ITGAVITGA2B
SCHEMBL6702670 0.81 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL3209804 0.80 ITGB3 (0.68) ITGB3ITGAVITGA2B
SCHEMBL5879524 0.79 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL3228383 0.75 ITGAV (0.46) ITGB3ITGAVITGA2B
SCHEMBL3220068 0.75 ITGAV (0.45) ITGB3ITGAVITGA2B
SCHEMBL3232755 0.74 ITGB3 (0.66) ITGB3ITGAVITGA2B
SCHEMBL5879963 0.73 ITGB3 (0.90) ITGB3ITGAV
SCHEMBL7705314 0.70 ITGB3 (0.45) ITGB3ITGAVITGA2BDRD3
SCHEMBL6853814 0.70 ITGB3 (0.45) ITGB3ITGAVITGA2BDRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands GENESTE HERVE 2010-02-25 US disclosed
US-20040077638-A1 Novel integrin receptor antagonists BASF AKTIENGESELLCHAFT (DE) 2004-04-22 US 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-20100048536-A1 Novel Substituted Diaryl Azepine Derivatives as Integrin Ligands ITGB3, ITGAL, ITGB4 ITGB3 1/4885ITGAV 5/4885ITGA2B 11/4885
US-20040077638-A1 Novel integrin receptor antagonists ITGB3, ITGAV, ITGA2B ITGB3 1/4885ITGAV 2/4885ITGA2B 3/4885

“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.