SCHEMBL2082371

SCHEMBL2082371

Cc1cccnc1CN(CCCN(O)C(N)=O)Cc1ncccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 6/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PLAU P00749 1/20 0.37
ALOX5 P09917 3/20 0.37
ADORA2A P29274 4/20 0.34
ADORA1 P30542 3/20 0.34
HSD17B10 Q99714 1/20 0.33
SLC1A5 Q15758 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL22578208 0.81 CXCR4 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2084960 0.81 CXCR4 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2085287 0.79 CXCR4 (0.44) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2080491 0.79 CXCR4 (0.56) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL23428606 0.79 HSD17B10 (0.45) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2086076 0.78 CXCR4 (0.41) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5556918 0.78 MAPT (0.47) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL4214957 0.77 CXCR4 (0.61) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL5576988 0.77 CXCR4 (0.51) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL22578213 0.76 ALDH1A1 (0.40) CXCR4CHRM2CHRM4CHRM5CHRM1

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-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP 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-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.