SCHEMBL4238974

SCHEMBL4238974

CC(CC(N)=O)N1CCC(C2(c3ccc(C(F)(F)F)cc3)Cc3c(F)cccc3O2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.51
HSD11B1 P28845 1/20 0.36
UBE2M P61081 2/20 0.33
DCUN1D1 Q96GG9 2/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
OGA O60502 2/20 0.32
TRPM8 Q7Z2W7 2/20 0.31
HTR1A P08908 2/20 0.31
TEAD1 P28347 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL4236857 0.88 CCR5 (0.51) CCR5UBE2MDCUN1D1
SCHEMBL4240153 0.80 CCR5 (0.62) CCR5HSD11B1UBE2MDCUN1D1SIRT2
SCHEMBL4235927 0.80 CCR5 (0.81) CCR5
SCHEMBL13931573 0.80 CCR5 (0.64) CCR5
SCHEMBL4238626 0.71 CCR5 (0.42) CCR5HSD11B1UBE2MDCUN1D1TRPM8
SCHEMBL4236038 0.71 CCR5 (0.67) CCR5
SCHEMBL4242880 0.69 CCR5 (0.53) CCR5UBE2MDCUN1D1TRPM8HTR1A
SCHEMBL4246944 0.69 CCR5 (0.65) CCR5
SCHEMBL4240155 0.68 CCR5 (0.41) CCR5UBE2MDCUN1D1OGA
SCHEMBL4239108 0.68 CCR5 (0.62) CCR5UBE2MDCUN1D1SIRT2SIRT1

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 1/4885HSD11B1 999/4885UBE2M 4562/4885

“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.