SCHEMBL12935002

SCHEMBL12935002

Cc1cnc(CN(CCCCN)Cc2ncccc2C(C)(C)c2ccc(Cl)cc2)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 20/20 0.47
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39

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
SCHEMBL23428742 0.92 CXCR4 (0.40) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2082428 0.92 CXCR4 (0.38) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2084931 0.92 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL12935008 0.91 CXCR4 (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2082267 0.89 CXCR4 (0.36) CXCR4
SCHEMBL2085688 0.88 CXCR4 (0.35) CXCR4
SCHEMBL2084695 0.87 CXCR4 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL23428711 0.86 CXCR4 (0.53) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2082853 0.86 CXCR4 (0.36) CXCR4CHRM2CHRM1
SCHEMBL2082415 0.86 CXCR4 (0.34) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885CHRM2 655/4885CHRM4 805/4885

“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.