SCHEMBL4240430

SCHEMBL4240430

CC(CCN)N1CCC(N(Cc2cccc(C#N)c2)c2ccc([S+](C)[O-])cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.54
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNH2 Q12809 1/20 0.40
PGR P06401 3/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL4242904 0.88 CCR5 (0.57) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4236516 0.87 CCR5 (0.59) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4240893 0.86 CCR5 (0.56) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4593856 0.86 CCR5 (0.56) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4240329 0.86 CCR5 (0.66) CCR5SLC6A2SLC6A4SLC6A3
SCHEMBL4235948 0.85 CCR5 (0.55) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4239099 0.84 CCR5 (0.60) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4586415 0.84 CCR5 (0.45) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4248692 0.84 CCR5 (0.60) CCR5SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4240573 0.84 CCR5 (0.56) CCR5SLC6A2SLC6A4SLC6A3KCNH2

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 1/4885SLC6A2 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.