SCHEMBL6405218

SCHEMBL6405218

O=C(C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1)NCCc1ccc(C2=NCCN2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 1.00

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
SCHEMBL1712642 1.00 BDKRB1 (1.00) BDKRB1
SCHEMBL5799816 0.93 BDKRB1 (1.00) BDKRB1
SCHEMBL1713137 0.91 BDKRB1 (1.00) BDKRB1
SCHEMBL4788371 0.91 BDKRB1 (1.00) BDKRB1
SCHEMBL5800750 0.84 BDKRB1 (0.73) BDKRB1
SCHEMBL4421200 0.83 BDKRB1 (0.77) BDKRB1
SCHEMBL5798724 0.80 BDKRB1 (0.67) BDKRB1
SCHEMBL5797518 0.79 BDKRB1 (0.80) BDKRB1
SCHEMBL5823100 0.78 BDKRB1 (0.78) BDKRB1
SCHEMBL5801080 0.78 BDKRB1 (0.77) BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
WO-2007003411-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2007-01-11 WO disclosed
EP-1741444-A1 Kinin antagonists for treating bladder dysfunction Jerini AG (DE) 2007-01-10 EP disclosed
US-6908921-B2 Quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. (US) 2005-06-21 US disclosed
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds SU DAI-SHI (US) 2005-01-27 US disclosed
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists MERCK & CO., INC. 2004-07-08 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 (3 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-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R BDKRB1 2/4885
US-20050020591-A1 2-Quinoxalinone derivatives as bradykinin antagonists and novel compounds BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885
US-20040132733-A1 Novel quinoxalinone derivatives as bradykinin B1 antagonists BDKRB1, BDKRB2, LTB4R2 BDKRB1 1/4885

“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.