SCHEMBL6948042

SCHEMBL6948042

COC(=O)C1=C(CCc2ccccc2C(=O)N2CCNCC2)NC(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)=C(C(=O)OC)C1c1c(Cl)cccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.35
CHRM2 P08172 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
CCR3 P51677 1/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MGLL Q99685 3/20 0.32
TSHR P16473 1/20 0.31
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BDKRB1 P46663 1/20 0.31
EPHX1 P07099 1/20 0.30
EPHX2 P34913 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
SCHEMBL6946279 0.92 RXFP1 (0.37) RXFP1CHRM2MEN1KMT2APOLB
SCHEMBL6947171 0.91 CCR3 (0.34) CHRM2CCR3KDM4EALDH1A1MGLL
SCHEMBL7132284 0.91 LMNA (0.35) RXFP1CHRM2MEN1KMT2APOLB
SCHEMBL6943069 0.88 CCR3 (0.35) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL6152139 0.88 CCR3 (0.35) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL7493254 0.87 SIGMAR1 (0.41) MEN1KMT2ACCR3KDM4EALDH1A1
SCHEMBL6947162 0.85 RXFP1 (0.35) RXFP1CHRM2MEN1KMT2APOLB
SCHEMBL6154279 0.85 CCR3 (0.33) CCR3KDM4EALDH1A1BDKRB1
SCHEMBL6153116 0.85 CCR3 (0.33) KMT2ACCR3BDKRB1
SCHEMBL6943352 0.84 MAPK1 (0.35) CCR3KDM4EALDH1A1BDKRB1

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 RXFP1 315/4885CHRM2 188/4885MEN1 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.