SCHEMBL7691124

SCHEMBL7691124

CN1C(CCc2ccccc2C(=O)N2CCNCC2I)=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C1CC(=O)N1CCN(C2CC3CCC(C2)N3C)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL6948051 0.90 RXFP1 (0.37) CCR3KDM4EALDH1A1
SCHEMBL6943073 0.83 CCR3 (0.37) CCR3KDM4EALDH1A1
SCHEMBL9080882 0.81 SIGMAR1 (0.42) CCR3KDM4EALDH1A1
SCHEMBL6154290 0.80 CCR3 (0.35) CCR3KDM4EALDH1A1
SCHEMBL6154565 0.80 CCR3 (0.34) CCR3KDM4EALDH1A1
SCHEMBL6152265 0.79 MEN1 (0.37) CCR3KDM4EALDH1A1
SCHEMBL6943360 0.79 MAPK1 (0.36) CCR3KDM4EALDH1A1
SCHEMBL6942967 0.79 SIGMAR1 (0.35) CCR3KDM4EALDH1A1
SCHEMBL6938888 0.79 CCR3 (0.34) CCR3KDM4EALDH1A1
SCHEMBL6152354 0.78 CCR3 (0.33) CCR3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US claimed

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 CCR3 221/4885KDM4E 1330/4885ALDH1A1 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.