SCHEMBL5561010

SCHEMBL5561010

CN1CCC(CCN(C)C(=O)C[C@@H]2C(=O)Nc3ccccc3N2S(=O)(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.47
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4428577 0.91 BDKRB1 (0.46) BDKRB1ALDH1A1POLB
SCHEMBL4417549 0.88 BDKRB1 (0.40) BDKRB1DRD2
SCHEMBL4425443 0.88 BDKRB1 (0.46) BDKRB1ALDH1A1POLB
SCHEMBL4418923 0.82 BDKRB1 (0.43) BDKRB1ALDH1A1POLB
SCHEMBL4432218 0.81 BDKRB1 (0.50) BDKRB1ALDH1A1POLB
SCHEMBL4425437 0.80 BDKRB1 (0.40) BDKRB1DRD2
SCHEMBL4427039 0.79 BDKRB1 (0.39) BDKRB1ALDH1A1POLB
SCHEMBL4422596 0.79 BDKRB1 (0.44) BDKRB1ALDH1A1POLB
SCHEMBL4425412 0.78 BDKRB1 (0.54) BDKRB1ALDH1A1POLB
SCHEMBL4420622 0.78 BDKRB1 (0.54) BDKRB1ALDH1A1POLB

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
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US claimed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-7183281-B2 Sulfonylquinoxalone derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2007-02-27 US disclosed
US-7056937-B2 Sulfonylquinoxalone derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. (US) 2006-06-06 US disclosed
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists ELAN PHARMACEUTICALS, INC. 2004-07-29 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 (2 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-20040147519-A1 Sulfonylquinoxalone acetamide derivatives as bradykinin antagonists BDKRB2, BDKRB1, HRH2 BDKRB1 2/4885ALDH1A1 2364/4885POLB 4694/4885
US-20040147520-A1 Sulfonylquinoxalone acetamide derivatives and related compounds as bradykinin antagonists BDKRB2, BDKRB1, PDXK BDKRB1 2/4885ALDH1A1 2366/4885POLB 4583/4885

“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.