SCHEMBL6152973

SCHEMBL6152973

COC(=O)C1=C(CCc2ccccc2COCCN2CCOCC2)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.32
BDKRB1 P46663 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CTSS P25774 1/20 0.31
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ESR2 Q92731 1/20 0.31
CCR3 P51677 1/20 0.31
CNR2 P34972 2/20 0.30
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR4 Q13639 1/20 0.30
CNR1 P21554 1/20 0.30
KCNK2 O95069 1/20 0.30
ABCB11 O95342 1/20 0.30
ADRB2 P07550 1/20 0.30
ABCB1 P08183 1/20 0.30
HTR1A P08908 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
SCHEMBL6155788 0.94 PTAFR (0.33) PTAFRBDKRB1CCR3HTR4KCNK2
SCHEMBL6152510 0.94 POLB (0.33) BDKRB1SMN1; SMN2CTSSPOLBHRH3
SCHEMBL6152262 0.92 HCRTR1 (0.35) HRH3CCR3CNR2MEN1KMT2A
SCHEMBL6152340 0.91 HTR1A (0.38) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6153279 0.90 HTR1A (0.34) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6152440 0.89 PTAFR (0.33) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6152848 0.88 BDKRB1 (0.36) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6152847 0.88 BDKRB1 (0.36) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6152310 0.88 BDKRB1 (0.36) PTAFRBDKRB1CCR3KCNK2ABCB11
SCHEMBL6153216 0.88 CCR3 (0.32) BDKRB1CCR3MEN1KMT2A

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
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 PTAFR 2036/4885BDKRB1 1/4885SMN1; SMN2 4324/4885

“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.