SCHEMBL5377237

SCHEMBL5377237

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)CCCNCS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.43
F2 P00734 2/20 0.39
NISCH Q9Y2I1 2/20 0.37
HDAC4 P56524 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
EDNRA P25101 1/20 0.35
TGM2 P21980 1/20 0.35

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
SCHEMBL5381605 0.95 BDKRB1 (0.41) BDKRB1F2NISCHHDAC4HDAC10
Trifluoroacetic Acid SCHEMBL5385915 0.95 BDKRB1 (0.40) BDKRB1F2NISCHHDAC4HDAC10
SCHEMBL5393837 0.91 BDKRB1 (0.48) BDKRB1NISCH
Trifluoroacetic Acid SCHEMBL5388730 0.90 BDKRB1 (0.40) BDKRB1F2NISCH
SCHEMBL5377240 0.86 BDKRB1 (0.55) BDKRB1F2NISCH
Trifluoroacetic Acid SCHEMBL5388819 0.86 BDKRB1 (0.44) BDKRB1NISCH
SCHEMBL5385014 0.86 BDKRB1 (0.48) BDKRB1NISCH
SCHEMBL5377261 0.86 BDKRB1 (0.53) BDKRB1NISCH
SCHEMBL5376846 0.86 BDKRB1 (0.51) BDKRB1NISCH
Hydrochloric Acid SCHEMBL5385641 0.85 BDKRB1 (0.52) BDKRB1NISCH

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 4 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-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 1/4885F2 106/4885NISCH 380/4885

“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.