SCHEMBL4244533

SCHEMBL4244533

CC(CCN)N1CCC(N(Cc2cccc(C#N)c2)c2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.52
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
PGR P06401 4/20 0.40
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
KCNH2 Q12809 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4245268 0.95 CCR5 (0.52) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4242212 0.92 CCR5 (0.49) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4244524 0.87 CCR5 (0.52) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4242904 0.86 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4236516 0.85 CCR5 (0.59) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4247135 0.85 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4240329 0.84 CCR5 (0.66) CCR5SLC6A2SLC6A4SLC6A3UBE2M
SCHEMBL4236599 0.84 CCR5 (0.50) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4248714 0.83 CCR5 (0.52) CCR5SLC6A2SLC6A4SLC6A3PGR
SCHEMBL4243234 0.83 CCR5 (0.67) CCR5

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 10 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 claimed
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 1/4885SLC6A2 3198/4885SLC6A4 3084/4885

“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.