SCHEMBL4240153

SCHEMBL4240153

CC(CC(N)=O)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Oc3ccccc3O2)CC1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.62
SIRT2 Q8IXJ6 2/20 0.39
SIRT1 Q96EB6 2/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
HSD11B1 P28845 1/20 0.38
OGA O60502 2/20 0.35
TEAD1 P28347 1/20 0.34
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
KIF11 P52732 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNB1 Q02641 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL4242469 0.87 CCR5 (0.51) CCR5UBE2MDCUN1D1HSD11B1
SCHEMBL4239988 0.87 CCR5 (0.49) CCR5UBE2MDCUN1D1HSD11B1
SCHEMBL4244513 0.86 CCR5 (0.47) CCR5UBE2MDCUN1D1
SCHEMBL4242941 0.85 CCR5 (0.46) CCR5SIRT2SIRT1UBE2MDCUN1D1
SCHEMBL4239108 0.85 CCR5 (0.62) CCR5SIRT2SIRT1UBE2MDCUN1D1
SCHEMBL4240609 0.84 CCR5 (0.46) CCR5SIRT2SIRT1HSD11B1OGA
SCHEMBL4240438 0.81 CCR5 (0.43) CCR5SIRT1
SCHEMBL4238974 0.80 CCR5 (0.51) CCR5SIRT2SIRT1UBE2MDCUN1D1
SCHEMBL4241411 0.79 CCR5 (0.79) CCR5
SCHEMBL4240155 0.79 CCR5 (0.41) CCR5UBE2MDCUN1D1OGA

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
EP-1708703-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2008-04-09 EP claimed
EP-1708703-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-10-11 EP claimed
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US claimed
WO-2005059107-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2005-06-30 WO claimed
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 1/4885SIRT2 3212/4885SIRT1 2326/4885

“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.