SCHEMBL6943069

SCHEMBL6943069

COC(=O)C1=C(CCc2ccccc2O)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.35
BDKRB1 P46663 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AVPR1A P37288 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MC4R P32245 1/20 0.30
SCD O00767 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
SCHEMBL6152139 0.94 CCR3 (0.35) CCR3BDKRB1MAPK1KDM4EALDH1A1
SCHEMBL7493254 0.92 SIGMAR1 (0.41) CCR3BDKRB1KDM4EALDH1A1SIGMAR1
SCHEMBL6943528 0.92 CCR3 (0.36) CCR3BDKRB1MAPK1KDM4EALDH1A1
SCHEMBL6947171 0.91 CCR3 (0.34) CCR3BDKRB1MAPK1KDM4EALDH1A1
SCHEMBL6153116 0.89 CCR3 (0.33) CCR3BDKRB1MAPK1AVPR1AKMT2A
SCHEMBL6154279 0.89 CCR3 (0.33) CCR3BDKRB1MAPK1KDM4EALDH1A1
SCHEMBL6942959 0.89 SIGMAR1 (0.35) CCR3BDKRB1SIGMAR1KMT2AMEN1
SCHEMBL6938886 0.89 CCR3 (0.33) CCR3BDKRB1MC4R
SCHEMBL6943352 0.89 MAPK1 (0.35) CCR3BDKRB1MAPK1KDM4EALDH1A1
SCHEMBL6152340 0.89 HTR1A (0.38) CCR3BDKRB1MC4R

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
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
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 CCR3 221/4885BDKRB1 1/4885MAPK1 388/4885

“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.