SCHEMBL5402639

SCHEMBL5402639

CC(C)N(CCCC(=O)N(C)CCc1ccc(C2=NCCN2C(=O)OC(C)(C)C)cc1)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 8/20 0.42
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
DRD3 P35462 2/20 0.33
STS P08842 1/20 0.31
NR1H4 Q96RI1 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL5392291 0.93 BDKRB1 (0.48) BDKRB1DRD2DRD4DRD3STS
SCHEMBL5393651 0.90 BDKRB1 (0.47) BDKRB1DRD2DRD4DRD3STS
SCHEMBL5390404 0.89 BDKRB1 (0.41) BDKRB1DRD2DRD4DRD3STS
SCHEMBL5195761 0.89 BDKRB1 (0.39) BDKRB1DRD2DRD4DRD3
SCHEMBL5377553 0.89 BDKRB1 (0.43) BDKRB1DRD2DRD4DRD3STS
SCHEMBL5402637 0.87 BDKRB1 (0.38) BDKRB1DRD2STS
SCHEMBL5216063 0.82 BDKRB1 (0.44) BDKRB1DRD2DRD4DRD3STS
SCHEMBL5381885 0.81 BDKRB1 (0.36) BDKRB1STS
SCHEMBL5396927 0.80 BDKRB1 (0.46) BDKRB1NR1H4
SCHEMBL5251466 0.80 BDKRB1 (0.48) BDKRB1DRD2DRD4DRD3

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 2 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 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 1/4885DRD2 797/4885DRD4 1300/4885

“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.