SCHEMBL5384492

SCHEMBL5384492

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 16/20 0.48
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
UBE2N P61088 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NISCH Q9Y2I1 2/20 0.36

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
Trifluoroacetic Acid SCHEMBL5388243 0.97 BDKRB1 (0.46) BDKRB1MEN1USP2POLBMAPT
SCHEMBL5388753 0.96 BDKRB1 (0.48) BDKRB1MEN1USP2POLBMAPT
Trifluoroacetic Acid SCHEMBL5381889 0.93 BDKRB1 (0.46) BDKRB1MEN1USP2POLBMAPT
SCHEMBL5384286 0.87 BDKRB1 (0.57) BDKRB1
Trifluoroacetic Acid SCHEMBL5378795 0.87 BDKRB1 (0.52) BDKRB1
SCHEMBL5382323 0.84 BDKRB1 (0.55) BDKRB1NISCH
SCHEMBL5388955 0.84 BDKRB1 (0.53) BDKRB1POLBNISCH
Trifluoroacetic Acid SCHEMBL5384572 0.84 BDKRB1 (0.51) BDKRB1POLBNISCH
Trifluoroacetic Acid SCHEMBL5384784 0.84 BDKRB1 (0.46) BDKRB1MAPT
SCHEMBL5387768 0.84 BDKRB1 (0.49) BDKRB1MAPT

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-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US claimed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 US claimed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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-20060100219-A1 Novel bradykinin-B1 antagonists, process for their preparation and their use as medicaments BDKRB1, BDKRB2, MRGPRX1 BDKRB1 1/4885MEN1 354/4885USP2 4738/4885

“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.