SCHEMBL5800683

SCHEMBL5800683

O=C(NC1N=C(CCc2ccccc2)c2ccccc2NC1=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.52
CCKAR P32238 6/20 0.48
IDO1 P14902 3/20 0.46
TDO2 P48775 2/20 0.46
SENP1 Q9P0U3 1/20 0.43
NAAA Q02083 1/20 0.43

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
SCHEMBL6307970 0.92 CCKBR (0.53) CCKBRCCKARIDO1TDO2NAAA
SCHEMBL7552319 0.89 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL7552311 0.89 CCKBR (0.52) CCKBRCCKARIDO1TDO2
SCHEMBL7549407 0.89 CCKBR (0.48) CCKBRCCKARIDO1TDO2
SCHEMBL7549412 0.89 CCKBR (0.48) CCKBRCCKARIDO1TDO2
SCHEMBL7552285 0.89 CCKBR (0.48) CCKBRCCKARIDO1TDO2SENP1
SCHEMBL7552291 0.89 CCKBR (0.48) CCKBRCCKARIDO1TDO2SENP1
SCHEMBL7552389 0.87 CCKBR (0.49) CCKBRCCKARIDO1TDO2
SCHEMBL7552385 0.87 CCKBR (0.49) CCKBRCCKARIDO1TDO2
SCHEMBL6005277 0.85 CCKBR (0.53) CCKBRCCKARIDO1TDO2

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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism ELAN PHARMACEUTICALS, INC. 2006-09-28 US disclosed
WO-2006071775-A2 NOVEL COMPOUNDS USEFUL FOR BRADYKININ B1 RECEPTOR ANTAGONISM ELAN PHARMACEUTICALS, INC. (US) 2006-07-06 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-20060217362-A1 Novel compounds useful for bradykinin B1 receptor antagonism BDKRB1, BDKRB2, NPBWR1 CCKBR 37/4885CCKAR 163/4885IDO1 2216/4885

“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.