SCHEMBL4243017

SCHEMBL4243017

CC(CC(N)=O)N1CCC(N(Cc2cccc(C#N)c2)c2ccc(C(=O)N(C)C)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.54
PDK1 Q15118 1/20 0.46
KCNH2 Q12809 1/20 0.41
F10 P00742 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KDM1A O60341 1/20 0.39
OPRD1 P41143 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
SCHEMBL4248686 0.92 CCR5 (0.56) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4244944 0.91 CCR5 (0.56) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4243019 0.90 CCR5 (0.58) CCR5PDK1KCNH2SLC6A2SLC6A4
SCHEMBL4242902 0.90 CCR5 (0.57) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4241155 0.90 CCR5 (0.57) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4244501 0.89 CCR5 (0.57) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4240326 0.87 CCR5 (0.65) CCR5KCNH2
SCHEMBL4236880 0.87 CCR5 (0.52) CCR5KCNH2F10SLC6A2SLC6A4
SCHEMBL4244689 0.86 CCR5 (0.56) CCR5KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL4240448 0.86 CCR5 (0.51) CCR5KCNH2F10SLC6A2SLC6A4

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
US-20050277670-A1 Chemokine receptor binding compounds ANORMED INC. 2005-12-15 US 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 1/4885PDK1 1116/4885KCNH2 4679/4885

“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.