SCHEMBL4714404

SCHEMBL4714404

[CH2]CCc1ccc2c(n1)NCCC2

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.52
ITGAV P06756 15/20 0.52
CXCR4 P61073 5/20 0.48
ITGA2B P08514 2/20 0.48
ITGB6 P18564 4/20 0.46
ITGB5 P18084 4/20 0.46
ITGB8 P26012 1/20 0.46
ITGB1 P05556 1/20 0.46

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
SCHEMBL5796484 0.92 ITGAV (0.55) ITGB3ITGAVITGA2BITGB6ITGB5
SCHEMBL7797597 0.85 ITGAV (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL8348087 0.85 ITGAV (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL6221546 0.85 ITGB3 (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL5849898 0.85 ITGB3 (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL23426185 0.85 ITGAV (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL1815095 0.85 ITGAV (0.51) ITGB3ITGAVCXCR4ITGA2BITGB6
SCHEMBL4202830 0.85 ITGAV (0.54) ITGB3ITGAVCXCR4ITGA2BITGB6
Hydrochloric Acid SCHEMBL1817002 0.84 ITGAV (0.50) ITGB3ITGAVCXCR4ITGA2BITGB6
Hydrochloric Acid SCHEMBL6424120 0.84 ITGAV (0.50) ITGB3ITGAVCXCR4ITGA2BITGB6

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
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP claimed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US claimed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 WO claimed
EP-1877401-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM Elan Pharmaceuticals Inc. (US) 2008-01-16 EP disclosed
US-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2007-02-08 US disclosed
WO-2006113140-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-10-26 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-20070032475-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 ITGB3 4278/4885ITGAV 4423/4885CXCR4 799/4885

“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.