SCHEMBL5574566

SCHEMBL5574566

Cc1cnc(CN)c(C)c1.NCCCCC1CCCc2cccnc21

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.64

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
SCHEMBL26337669 0.82 CXCR4 (0.52) CXCR4
SCHEMBL10367296 0.80 CXCR4 (0.51) CXCR4
SCHEMBL2084232 0.78 CXCR4 (1.00) CXCR4
SCHEMBL5058356 0.78 CXCR4 (1.00) CXCR4
SCHEMBL2084234 0.78 CXCR4 (1.00) CXCR4
SCHEMBL4219056 0.77 CXCR4 (0.94) CXCR4
SCHEMBL2084765 0.74 CXCR4 (0.56) CXCR4
SCHEMBL2084588 0.74 CXCR4 (0.72) CXCR4
SCHEMBL1698247 0.73 CXCR4 (0.40) CXCR4
SCHEMBL4350910 0.73 CXCR4 (0.42) CXCR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 CXCR4 1/4885

“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.