SCHEMBL6948333

SCHEMBL6948333

CN1C2CCC1CC(N1CCN(C(=O)CC3=C(C(=O)O)C(c4c(Cl)cccc4Cl)C(C(=O)O)=C(CCc4ccccc4NS(C)(=O)=O)N3)CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
CCR3 P51677 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RCE1 Q9Y256 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
BDKRB1 P46663 1/20 0.32
EGFR P00533 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
AVPR1A P37288 1/20 0.30
KCNH2 Q12809 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL6943352 0.93 MAPK1 (0.35) MAPK1CCR3ALDH1A1KDM4ERCE1
SCHEMBL7133567 0.92 POLB (0.32) MAPK1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL7248046 0.89 POLB (0.34) MAPK1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL6152408 0.88 CCR3 (0.36) MAPK1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL6943528 0.88 CCR3 (0.36) MAPK1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL7838559 0.85 SIGMAR1 (0.42) CCR3ALDH1A1KDM4E
SCHEMBL6940678 0.85 BDKRB1 (0.32) MAPK1CCR3BDKRB1
SCHEMBL6153146 0.85 CCR3 (0.34) MAPK1CCR3ALDH1A1KDM4E
SCHEMBL6152430 0.84 CCR3 (0.34) MAPK1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL6152975 0.83 CCR3 (0.33) CCR3ALDH1A1KDM4EAVPR1A

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 4 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 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 MAPK1 388/4885CCR3 221/4885ALDH1A1 1798/4885

“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.