SCHEMBL6154442

SCHEMBL6154442

CNC(=O)CCC(=O)NCc1ccccc1CCC1=C(C(=O)O)C(C)(c2c(Cl)cccc2Cl)C(C(=O)O)=C(CC(=O)N2CCN(C3CC4CCC(C3)N4C)CC2)N1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.33
AVPR1A P37288 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
KMT2A Q03164 1/20 0.31
P2RX7 Q99572 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 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
SCHEMBL6943073 0.87 CCR3 (0.37) CCR3AVPR1AKDM4EALDH1A1KMT2A
SCHEMBL6154290 0.85 CCR3 (0.35) CCR3KDM4EALDH1A1KMT2AMAPK1
SCHEMBL6152265 0.85 MEN1 (0.37) CCR3KDM4EALDH1A1KMT2AP2RX7
SCHEMBL6154565 0.85 CCR3 (0.34) CCR3AVPR1AKDM4EALDH1A1KMT2A
SCHEMBL9080882 0.85 SIGMAR1 (0.42) CCR3KDM4EALDH1A1KMT2A
SCHEMBL6938888 0.84 CCR3 (0.34) CCR3AVPR1ACHRM2CHRM1CHRM3
SCHEMBL6943360 0.84 MAPK1 (0.36) CCR3AVPR1ACHRM2CHRM1CHRM3
SCHEMBL6152354 0.83 CCR3 (0.33) CCR3KDM4EALDH1A1MAPK1
SCHEMBL6153058 0.82 CCR3 (0.33) CCR3KDM4EALDH1A1MAPK1
SCHEMBL6942967 0.82 SIGMAR1 (0.35) CCR3KDM4EALDH1A1KMT2AMAPK1

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 9 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
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 CCR3 221/4885AVPR1A 731/4885CHRM2 188/4885

“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.