SCHEMBL5377549

SCHEMBL5377549

CC(C)(C)OC(=O)N1CCN=C1c1ccc(CCNCC(=O)CCCN(C2CC2)S(=O)(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 6/20 0.39
RORC P51449 1/20 0.33
STS P08842 1/20 0.33
GPR119 Q8TDV5 3/20 0.32
REN P00797 1/20 0.31
F10 P00742 1/20 0.31
MAPT P10636 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PTPRB P23467 1/20 0.30
PTPN11 Q06124 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
SCHEMBL5392287 0.91 BDKRB1 (0.44) BDKRB1STS
SCHEMBL5402637 0.89 BDKRB1 (0.38) BDKRB1STS
SCHEMBL5393649 0.89 BDKRB1 (0.44) BDKRB1STSMAPT
SCHEMBL5377553 0.87 BDKRB1 (0.43) BDKRB1RORCSTSGPR119REN
SCHEMBL5389010 0.82 OPRM1 (0.35) BDKRB1STSMAPTHRH3
SCHEMBL5110842 0.81 BDKRB1 (0.34) BDKRB1RORCF10
SCHEMBL5118182 0.79 BDKRB1 (0.36) BDKRB1RORCF10
SCHEMBL5377425 0.78 SMN1; SMN2 (0.40) MAPT
SCHEMBL5392291 0.78 BDKRB1 (0.48) BDKRB1STS
SCHEMBL5457823 0.77 NR1H2 (0.40) 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 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 1/4885RORC 4572/4885STS 4842/4885

“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.