SCHEMBL6152340

SCHEMBL6152340

COC(=O)C1=C(CCc2ccccc2COCCN)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD1 P21728 2/20 0.38
TBXA2R P21731 2/20 0.38
SLC6A2 P23975 2/20 0.38
ADRA1A P35348 2/20 0.38
OPRM1 P35372 2/20 0.38
DRD3 P35462 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KCNH2 Q12809 2/20 0.38
KCNK2 O95069 1/20 0.38
ABCB11 O95342 1/20 0.38
ADRB2 P07550 1/20 0.38
ABCB1 P08183 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADRB3 P13945 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL6153279 0.97 HTR1A (0.34) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152832 0.93 CCR3 (0.33) NR1I2CYP3A4BDKRB1CCR3
SCHEMBL6155788 0.93 PTAFR (0.33) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152440 0.92 PTAFR (0.33) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152848 0.91 BDKRB1 (0.36) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152310 0.91 BDKRB1 (0.36) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152847 0.91 BDKRB1 (0.36) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152973 0.91 PTAFR (0.32) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6942959 0.90 SIGMAR1 (0.35) HTR1AADRA2ACHRM1DRD1TBXA2R
SCHEMBL6152139 0.90 CCR3 (0.35) BDKRB1CCR3

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP 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 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
EP-1307449-B1 1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS PFIZER PHARMA (JP) 2005-12-07 EP disclosed
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 HTR1A 231/4885ADRA2A 71/4885CHRM1 95/4885

“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.