SCHEMBL4247923

SCHEMBL4247923

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

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.52
UBE2M P61081 7/20 0.34
DCUN1D1 Q96GG9 7/20 0.34
HSD11B1 P28845 1/20 0.33
CCR2 P41597 1/20 0.33
DPP4 P27487 2/20 0.32

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
SCHEMBL4239108 0.89 CCR5 (0.62) CCR5UBE2MDCUN1D1
SCHEMBL4241258 0.87 CCR5 (0.39) CCR5HSD11B1DPP4
SCHEMBL4241361 0.85 CCR5 (0.40) CCR5UBE2MDCUN1D1HSD11B1DPP4
SCHEMBL4242880 0.84 CCR5 (0.53) CCR5UBE2MDCUN1D1
SCHEMBL4245214 0.79 CCR5 (0.85) CCR5
SCHEMBL4242886 0.77 CCR5 (0.36) CCR5UBE2MDCUN1D1HSD11B1CCR2
SCHEMBL4247925 0.77 CCR5 (0.36) CCR5UBE2MDCUN1D1HSD11B1CCR2
SCHEMBL4245517 0.77 CCR5 (0.49) CCR5UBE2MDCUN1D1HSD11B1
SCHEMBL4239992 0.76 CCR5 (0.49) CCR5UBE2MDCUN1D1
SCHEMBL4242471 0.76 CCR5 (0.51) 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 1/4885UBE2M 4562/4885DCUN1D1 3581/4885

“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.