SCHEMBL5387868

SCHEMBL5387868

Cc1cc(S(=O)(=O)N2CCCCC2CCC(=O)CNCCc2ccc(C3=NCCN3C(=O)OC(C)(C)C)cc2)c(C)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
BDKRB1 P46663 5/20 0.35
LMNA P02545 1/20 0.33
EPHX2 P34913 1/20 0.32
FKBP1A P62942 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
PAX8 Q06710 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL5389010 0.90 OPRM1 (0.35) BDKRB1LMNAOPRM1OPRK1PAX8
SCHEMBL5381807 0.87 NPC1 (0.40) BDKRB1FKBP1A
SCHEMBL5387874 0.87 HCRTR1 (0.36) HCRTR1HCRTR2BDKRB1LMNAEPHX2
SCHEMBL5389019 0.76 BDKRB1 (0.36) BDKRB1LMNAOPRM1OPRK1
SCHEMBL5381885 0.74 BDKRB1 (0.36) BDKRB1LMNAOPRM1OPRK1HRH3
SCHEMBL5393649 0.74 BDKRB1 (0.44) BDKRB1
SCHEMBL5381812 0.74 FKBP1A (0.39) BDKRB1LMNAFKBP1A
SCHEMBL5377549 0.72 BDKRB1 (0.39) BDKRB1HRH3
SCHEMBL5392287 0.72 BDKRB1 (0.44) BDKRB1
SCHEMBL5457823 0.72 NR1H2 (0.40) BDKRB1LMNA

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 HCRTR1 542/4885HCRTR2 762/4885BDKRB1 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.