SCHEMBL5803296

SCHEMBL5803296

CCCN1C(=O)C(NC(=O)NCCC2CCN(c3ccncc3)CC2)N=C(CCc2ccccc2)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.74
CCKBR P32239 7/20 0.47
CHRM4 P08173 1/20 0.41

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
SCHEMBL5802825 0.93 BDKRB1 (0.76) BDKRB1CCKBR
SCHEMBL3049609 0.85 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL7593167 0.83 BDKRB1 (1.00) BDKRB1CCKBR
SCHEMBL1713172 0.81 BDKRB1 (0.91) BDKRB1CCKBR
SCHEMBL13985117 0.80 BDKRB1 (0.91) BDKRB1CCKBR
SCHEMBL7603693 0.73 BDKRB1 (0.72) BDKRB1CCKBR
SCHEMBL5800119 0.73 BDKRB1 (0.59) BDKRB1CCKBR
SCHEMBL7595853 0.71 BDKRB1 (0.84) BDKRB1CCKBR
SCHEMBL5803119 0.70 BDKRB1 (0.56) BDKRB1CCKBR
SCHEMBL7598779 0.70 BDKRB1 (0.86) BDKRB1CCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US claimed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 WO claimed
US-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 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 (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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 BDKRB1 1/4885CCKBR 37/4885CHRM4 953/4885

“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.