SCHEMBL6946261

SCHEMBL6946261

CN1C(CCc2ccccc2OCCN2CCCC2=O)=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C1CC(=O)N1CCN(C2CC3CCC(C2)N3C)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
OPRL1 P41146 2/20 0.31
CCR3 P51677 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TYRO3 Q06418 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
MAPK1 P28482 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
MGLL Q99685 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
SCHEMBL6942967 0.89 SIGMAR1 (0.35) KMT2AMEN1CCR3ALDH1A1KDM4E
SCHEMBL6944091 0.88 CCR3 (0.33) KMT2AMEN1CCR3ALDH1A1KDM4E
SCHEMBL9080882 0.87 SIGMAR1 (0.42) KMT2AMEN1CCR3ALDH1A1KDM4E
SCHEMBL6945576 0.83 POLB (0.34) POLBKMT2AMEN1OPRL1CCR3
SCHEMBL6943073 0.83 CCR3 (0.37) KMT2AMEN1CCR3ALDH1A1KDM4E
SCHEMBL6153099 0.81 CCR3 (0.33) KMT2AMEN1OPRL1CCR3ALDH1A1
SCHEMBL6152354 0.81 CCR3 (0.33) CCR3ALDH1A1KDM4EMAPK1
SCHEMBL6154290 0.81 CCR3 (0.35) KMT2AMEN1CCR3ALDH1A1KDM4E
SCHEMBL6153058 0.81 CCR3 (0.33) CCR3ALDH1A1KDM4EMAPK1
SCHEMBL6154565 0.80 CCR3 (0.34) KMT2AMEN1CCR3ALDH1A1KDM4E

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 8 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
US-20020161006-A1 1,4-dihydropyridine compounds as bradykinin antagonists KAWAMURA MITSUHIRO (US) 2002-10-31 US 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 POLB 4177/4885KMT2A 1890/4885MEN1 2435/4885

“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.