SCHEMBL4680501

SCHEMBL4680501

C=CCOC1(c2ccc(Cl)c(Cl)c2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.45
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38
KDM1A O60341 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
TACR1 P25103 1/20 0.37
GPR183 P32249 1/20 0.36
OPRM1 P35372 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL13543991 0.94 CCR5 (0.43) CCR5F13A1TGM2TGM1TGM3
SCHEMBL5510972 0.92 CCR5 (0.44) CCR5KDM1APDE4APDE4BPDE4C
SCHEMBL14415552 0.86 CCR5 (0.46) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL13543990 0.85 CCR5 (0.44) CCR5KDM1ATACR1
SCHEMBL6174943 0.84 RORC (0.38) CCR5OPRM1
SCHEMBL4683488 0.80 CCR5 (0.54) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL13544004 0.79 CCR5 (0.46) CCR5KDM1ATACR1OPRM1
SCHEMBL14415546 0.79 CCR5 (0.51) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL7462568 0.78 CCR5 (0.56) CCR5PDE4APDE4BPDE4CPDE4D
SCHEMBL7462578 0.78 CCR5 (0.56) CCR5PDE4APDE4BPDE4CPDE4D

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-1569933-B1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2008-07-23 EP disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
US-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists SMITHKLINE BEECHAM CORPORATION 2006-03-16 US disclosed
EP-1569933-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SmithKline Beecham Corporation (US) 2005-09-07 EP disclosed
WO-2004055016-A1 PYRROLIDINE AND AZETIDINE COMPOUNDS AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 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-20060058284-A1 Pyrrolidine and azetidine compounds as ccr5 antagonists CCR5, CCL5, CXCR1 CCR5 1/4885F13A1 2605/4885TGM2 4580/4885

“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.