SCHEMBL4236292

SCHEMBL4236292

CC(CCN)N1CCC(C2(c3ccc(S(C)(=O)=O)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.47
MEN1 O00255 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRL1 P41146 2/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CHRM2 P08172 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
MCL1 Q07820 1/20 0.32
CNR2 P34972 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
OGA O60502 1/20 0.31
HSD11B1 P28845 1/20 0.31
UBE2M P61081 1/20 0.31
DCUN1D1 Q96GG9 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
SCHEMBL4241361 0.89 CCR5 (0.40) CCR5PTGS1PTGS2CHRM2HSD11B1
SCHEMBL4239992 0.85 CCR5 (0.49) CCR5OPRM1OPRL1CHRM2UBE2M
SCHEMBL4242471 0.85 CCR5 (0.51) CCR5MEN1KDM4EUBE2MDCUN1D1
SCHEMBL4240043 0.84 CCR5 (0.46) CCR5
SCHEMBL4244519 0.84 CCR5 (0.51) CCR5CHRM2KDM4EUBE2MDCUN1D1
SCHEMBL4247403 0.84 CCR5 (0.50) CCR5MEN1OPRM1OPRL1PTGS1
SCHEMBL4236434 0.83 CCR5 (0.46) CCR5UBE2MDCUN1D1
SCHEMBL4242947 0.83 CCR5 (0.46) CCR5MEN1OPRM1OPRL1UBE2M
SCHEMBL4240091 0.83 CCR5 (0.48) CCR5TSHRUBE2MDCUN1D1
SCHEMBL4239108 0.82 CCR5 (0.62) CCR5OPRM1OPRL1UBE2MDCUN1D1

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 1/4885MEN1 4855/4885OPRM1 183/4885

“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.