SCHEMBL6943632

SCHEMBL6943632

CN1C2CCC1CC(N1CCN(C(=O)CC3=C(C(=O)O)C(c4c(Cl)cccc4Cl)C(C(=O)O)=C(CCc4ccccc4OCCN)N3)CC1)C2

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
CCR3 P51677 1/20 0.33
KCNH2 Q12809 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
BDKRB1 P46663 1/20 0.32
KMT2A Q03164 3/20 0.31
MEN1 O00255 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MGLL Q99685 1/20 0.30
MAPK1 P28482 1/20 0.30
TP53 P04637 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
SCHEMBL6946815 0.96 CCR3 (0.33) SIGMAR1CCR3KCNH2ALDH1A1KDM4E
SCHEMBL6942959 0.93 SIGMAR1 (0.35) SIGMAR1CCR3KCNH2BDKRB1KMT2A
SCHEMBL7838559 0.91 SIGMAR1 (0.42) SIGMAR1CCR3ALDH1A1KDM4EKMT2A
SCHEMBL6152832 0.90 CCR3 (0.33) CCR3ALDH1A1KDM4EBDKRB1MAPK1
SCHEMBL6944085 0.90 SIGMAR1 (0.33) SIGMAR1CCR3KCNH2BDKRB1KMT2A
SCHEMBL6945576 0.90 POLB (0.34) SIGMAR1CCR3ALDH1A1KDM4EBDKRB1
SCHEMBL6152716 0.88 CCR3 (0.33) CCR3ALDH1A1KDM4EBDKRB1MAPK1
SCHEMBL6152408 0.88 CCR3 (0.36) CCR3ALDH1A1KDM4EBDKRB1KMT2A
SCHEMBL6943528 0.88 CCR3 (0.36) CCR3ALDH1A1KDM4EBDKRB1KMT2A
SCHEMBL6153146 0.85 CCR3 (0.34) CCR3ALDH1A1KDM4EKMT2AMEN1

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 SIGMAR1 218/4885CCR3 221/4885KCNH2 16/4885

“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.