SCHEMBL4242522

SCHEMBL4242522

CC(CC(N)=O)N1CCC(NC(c2cncnc2)c2ccsc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.39
CCR5 P51681 11/20 0.34
ALOX5 P09917 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
KCNH2 Q12809 4/20 0.32
CFD P00746 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL4244580 0.91 C3AR1 (0.46) C3AR1CCR5
SCHEMBL4245229 0.83 MEN1 (0.40)
SCHEMBL4245222 0.79 CCR5 (0.49) CCR5KCNH2
SCHEMBL4242526 0.78 CCR5 (0.50) CCR5KCNH2
SCHEMBL4236453 0.76 ALDH1A1 (0.50)
SCHEMBL4586617 0.75 CCR5 (0.43) CCR5KCNH2
SCHEMBL4239259 0.75 CCR5 (0.49) CCR5KCNH2
SCHEMBL3762693 0.75 MCHR1 (0.40) CCR5KCNH2HRH3
SCHEMBL3758106 0.75 MCHR1 (0.40) CCR5KCNH2HRH3
SCHEMBL4241384 0.71 CCR5 (0.50) CCR5KCNH2

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 7 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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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 C3AR1 34/4885CCR5 1/4885ALOX5 2182/4885

“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.