SCHEMBL6944085

SCHEMBL6944085

COC(=O)C1=C(CCc2ccccc2OCCCN)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.33
CCR3 P51677 2/20 0.32
SCD O00767 1/20 0.32
BDKRB1 P46663 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ADRA1A P35348 3/20 0.31
DRD2 P14416 2/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1B P35368 2/20 0.31
KCNH2 Q12809 4/20 0.30
HTR1A P08908 2/20 0.30
ADRA2A P08913 2/20 0.30
CHRM1 P11229 2/20 0.30
DRD1 P21728 2/20 0.30
TBXA2R P21731 2/20 0.30
SLC6A2 P23975 2/20 0.30
OPRM1 P35372 2/20 0.30
DRD3 P35462 2/20 0.30
SLC6A3 Q01959 2/20 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
SCHEMBL6942959 0.97 SIGMAR1 (0.35) SIGMAR1CCR3SCDBDKRB1KMT2A
SCHEMBL6946815 0.93 CCR3 (0.33) SIGMAR1CCR3BDKRB1KMT2AMEN1
SCHEMBL6153279 0.92 HTR1A (0.34) CCR3BDKRB1ADRA1ADRD2ADRA1D
SCHEMBL7493254 0.92 SIGMAR1 (0.41) SIGMAR1CCR3BDKRB1KMT2AMEN1
SCHEMBL6943632 0.90 SIGMAR1 (0.35) SIGMAR1CCR3BDKRB1KMT2AMEN1
SCHEMBL6946255 0.89 KMT2A (0.33) SIGMAR1CCR3SCDBDKRB1KMT2A
SCHEMBL6152340 0.88 HTR1A (0.38) CCR3BDKRB1ADRA1ADRD2ADRA1D
SCHEMBL6152139 0.88 CCR3 (0.35) SIGMAR1CCR3BDKRB1KMT2AMEN1
SCHEMBL6943069 0.88 CCR3 (0.35) SIGMAR1CCR3SCDBDKRB1KMT2A
SCHEMBL6947171 0.87 CCR3 (0.34) CCR3BDKRB1

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
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 SIGMAR1 218/4885CCR3 221/4885SCD 4211/4885

“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.