SCHEMBL6943360

SCHEMBL6943360

CN1C(CCc2ccccc2NS(C)(=O)=O)=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C1CC(=O)N1CCN(C2CC3CCC(C2)N3C)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
CCR3 P51677 5/20 0.34
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
RCE1 Q9Y256 1/20 0.32
EGFR P00533 1/20 0.31
BDKRB1 P46663 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
AVPR1A P37288 1/20 0.30
KCNH2 Q12809 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6940684 0.92 MAPK1 (0.33) MAPK1CCR3ALDH1A1KDM4E
SCHEMBL6938888 0.89 CCR3 (0.34) MAPK1CCR3ALDH1A1KDM4ECHRM2
SCHEMBL6943073 0.87 CCR3 (0.37) MAPK1CCR3ALDH1A1KDM4EAVPR1A
SCHEMBL9080882 0.85 SIGMAR1 (0.42) CCR3ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6154290 0.85 CCR3 (0.35) MAPK1CCR3ALDH1A1KDM4EMEN1
SCHEMBL6154565 0.84 CCR3 (0.34) MAPK1CCR3ALDH1A1KDM4EAVPR1A
SCHEMBL6154442 0.84 CCR3 (0.33) MAPK1CCR3ALDH1A1KDM4ECHRM2
SCHEMBL6942967 0.83 SIGMAR1 (0.35) MAPK1CCR3HRH3ALDH1A1KDM4E
SCHEMBL6152265 0.83 MEN1 (0.37) CCR3HRH3ALDH1A1KDM4EMEN1
SCHEMBL6152545 0.83 CCR3 (0.32) CCR3ALDH1A1KDM4EBDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6653313-B2 For treatment and prevention of inflammation, asthma, allergic rhinitis, pain and other disorders WARNER-LAMBERT COMPANY LLC 2003-11-25 US claimed
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
EP-1307449-A1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2003-05-07 EP 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 MAPK1 388/4885CCR3 221/4885HRH3 6/4885

“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.