SCHEMBL4241361

SCHEMBL4241361

CC(CCN)N1CCC(C2(c3ccc(S(C)(=O)=O)cc3)Oc3ccc(F)cc3O2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 2/20 0.40
DPP4 P27487 2/20 0.35
PTGS2 P35354 4/20 0.33
SLC6A4 P31645 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
CHRM2 P08172 5/20 0.33
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
PTGS1 P23219 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD11B1 P28845 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL4236292 0.89 CCR5 (0.47) CCR5PTGS2CHRM2UBE2MDCUN1D1
SCHEMBL4247923 0.85 CCR5 (0.52) CCR5DPP4UBE2MDCUN1D1HSD11B1
SCHEMBL4241258 0.85 CCR5 (0.39) CCR5DPP4CHRM2HSD11B1
SCHEMBL4239992 0.74 CCR5 (0.49) CCR5CHRM2UBE2MDCUN1D1
SCHEMBL4242471 0.74 CCR5 (0.51) CCR5UBE2MDCUN1D1
SCHEMBL4240043 0.74 CCR5 (0.46) CCR5
SCHEMBL4247403 0.73 CCR5 (0.50) CCR5PTGS2PTGS1
SCHEMBL4244519 0.73 CCR5 (0.51) CCR5CHRM2UBE2MDCUN1D1
SCHEMBL4240091 0.73 CCR5 (0.48) CCR5SLC6A4UBE2MDCUN1D1CYP3A4
SCHEMBL4236434 0.73 CCR5 (0.46) CCR5UBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491735-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2009-02-17 US disclosed
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP disclosed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP disclosed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US disclosed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 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-20050277670-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885DPP4 2004/4885PTGS2 1741/4885

“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.