SCHEMBL5389010

SCHEMBL5389010

CC(C)(C)OC(=O)N1CCN=C1c1ccc(CCNCC(=O)CCC2CCCCN2S(=O)(=O)c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
BDKRB1 P46663 8/20 0.32
STS P08842 1/20 0.32
MAPT P10636 2/20 0.32
KCNQ1 P51787 1/20 0.32
HRH3 Q9Y5N1 2/20 0.31
PAX8 Q06710 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL5387868 0.90 HCRTR1 (0.37) OPRM1OPRK1BDKRB1HRH3PAX8
SCHEMBL5381807 0.89 NPC1 (0.40) BDKRB1ALDH1A1
SCHEMBL5389019 0.87 BDKRB1 (0.36) OPRM1OPRK1BDKRB1STSMAPT
SCHEMBL5381885 0.85 BDKRB1 (0.36) OPRM1OPRK1BDKRB1STSMAPT
SCHEMBL5393649 0.83 BDKRB1 (0.44) BDKRB1STSMAPT
SCHEMBL5392287 0.82 BDKRB1 (0.44) BDKRB1STS
SCHEMBL5377549 0.82 BDKRB1 (0.39) BDKRB1STSMAPTHRH3
SCHEMBL5377425 0.81 SMN1; SMN2 (0.40) MAPTALDH1A1LMNATSHR
SCHEMBL5402637 0.80 BDKRB1 (0.38) BDKRB1STS
SCHEMBL5387874 0.76 HCRTR1 (0.36) OPRM1OPRK1BDKRB1LMNA

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 OPRM1 372/4885OPRK1 148/4885BDKRB1 1/4885

“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.