SCHEMBL13146136

SCHEMBL13146136

Cc1cc(-c2[nH]ncc2CNS(C)(=O)=O)c2cccc(OCc3c(C)ccnc3Cn3cccc(C(F)(F)F)c3=O)c2n1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 11/20 0.80
CYP3A4 P08684 4/20 0.80
CYP2C19 P33261 2/20 0.63
RORC P51449 9/20 0.40

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
SCHEMBL13093149 0.91 BDKRB2 (0.88) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1563792 0.90 BDKRB2 (0.87) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146138 0.90 BDKRB2 (0.78) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL14038629 0.90 BDKRB2 (0.86) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13145945 0.89 BDKRB2 (0.85) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146134 0.89 BDKRB2 (0.78) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL29572401 0.89 BDKRB2 (1.00) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL1564049 0.89 BDKRB2 (1.00) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13146103 0.88 BDKRB2 (0.88) BDKRB2CYP3A4CYP2C19RORC
SCHEMBL13092927 0.88 BDKRB2 (0.76) BDKRB2CYP3A4CYP2C19RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410134-B2 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators SHIRE ORPHAN THERAPIES GMBH (DE) 2013-04-02 US disclosed
US-8410134-B2 8-oxy-quinoline derivatives as bradykinin B2 receptor modulators SHIRE ORPHAN THERAPIES GMBH (DE) 2013-04-02 US disclosed
US-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-09-16 US disclosed
US-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2010-09-16 US disclosed
WO-2008116620-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS JERINI AG (DE) 2008-10-02 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-20100234344-A1 8-OXY-QUINOLINE DERIVATIVES AS BRADYKININ B2 RECEPTOR MODULATORS BDKRB2, BDKRB1, HRH2 BDKRB2 1/4885CYP3A4 762/4885CYP2C19 895/4885

“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.