SCHEMBL6943528

SCHEMBL6943528

CN1C2CCC1CC(N1CCN(C(=O)CC3=C(C(=O)O)C(c4c(Cl)cccc4Cl)C(C(=O)O)=C(CCc4ccccc4O)N3)CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.33
MC4R P32245 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
BDKRB1 P46663 1/20 0.31
AVPR1A P37288 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
SCHEMBL6152408 0.94 CCR3 (0.36) CCR3KDM4EALDH1A1MAPK1MEN1
SCHEMBL6943069 0.92 CCR3 (0.35) CCR3KDM4EALDH1A1MAPK1MC4R
SCHEMBL7838559 0.90 SIGMAR1 (0.42) CCR3KDM4EALDH1A1MC4RMEN1
SCHEMBL6153146 0.89 CCR3 (0.34) CCR3KDM4EALDH1A1MAPK1MEN1
SCHEMBL6152430 0.89 CCR3 (0.34) CCR3KDM4EALDH1A1MAPK1MC4R
SCHEMBL6946279 0.88 RXFP1 (0.37) CCR3KDM4EALDH1A1MEN1KMT2A
SCHEMBL6948333 0.88 MAPK1 (0.35) CCR3KDM4EALDH1A1MAPK1BDKRB1
SCHEMBL6943632 0.88 SIGMAR1 (0.35) CCR3KDM4EALDH1A1MAPK1MEN1
SCHEMBL7248046 0.88 POLB (0.34) CCR3KDM4EALDH1A1MAPK1MC4R
SCHEMBL6152832 0.88 CCR3 (0.33) CCR3KDM4EALDH1A1MAPK1BDKRB1

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 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.