SCHEMBL6940678

SCHEMBL6940678

COC(=O)C1=C(CCc2ccccc2NS(=O)(=O)C(F)(F)F)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.32
MAPK1 P28482 1/20 0.31
CCR3 P51677 1/20 0.31
CNR1 P21554 1/20 0.31
CACNA1H O95180 2/20 0.30
POLB P06746 1/20 0.30
MC4R P32245 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
SCHEMBL7133567 0.93 POLB (0.32) BDKRB1MAPK1CCR3CNR1CACNA1H
SCHEMBL6943352 0.92 MAPK1 (0.35) BDKRB1MAPK1CCR3
SCHEMBL6938886 0.91 CCR3 (0.33) BDKRB1CCR3POLBMC4R
SCHEMBL6943069 0.88 CCR3 (0.35) BDKRB1MAPK1CCR3MC4R
SCHEMBL6152139 0.86 CCR3 (0.35) BDKRB1MAPK1CCR3
SCHEMBL6948149 0.86
SCHEMBL7493254 0.86 SIGMAR1 (0.41) BDKRB1CCR3
SCHEMBL6948333 0.85 MAPK1 (0.35) BDKRB1MAPK1CCR3
SCHEMBL6947171 0.85 CCR3 (0.34) BDKRB1MAPK1CCR3
SCHEMBL7248046 0.84 POLB (0.34) BDKRB1MAPK1CCR3CNR1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP claimed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US claimed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO claimed
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US disclosed
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP disclosed
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US disclosed
WO-2002012235-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2002-02-14 WO 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-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists BDKRB1, BDKRB2, HRH4 BDKRB1 1/4885MAPK1 388/4885CCR3 221/4885

“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.