SCHEMBL2084491

SCHEMBL2084491

Cc1cnc(CNCc2ncccc2N2CCCCC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
CYP2D6 P10635 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
CXCR4 P61073 1/20 0.37
ALDH1A3 P47895 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 3/20 0.36
NCF1 P14598 1/20 0.35
GAA P10253 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PIM1 P11309 2/20 0.34
HTT P42858 2/20 0.34
PIM3 Q86V86 1/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL2084997 0.88 TSHR (0.41) CYP2D6CHRM2CHRM4CHRM5CHRM1
SCHEMBL2085278 0.80 ROCK1 (0.39) L3MBTL1CYP2D6CHRM2CHRM4CHRM5
SCHEMBL2082333 0.79 CXCR4 (0.37) CNR2L3MBTL1CYP2D6CHRM2CHRM4
SCHEMBL12935309 0.76 CXCR4 (0.52) CYP2D6CHRM2CHRM4CHRM5CHRM1
SCHEMBL2086487 0.74 CXCR4 (0.38) CXCR4ALDH1A1
SCHEMBL2084723 0.69 KEAP1 (0.46) CNR2L3MBTL1CXCR4MAPTNCF1
SCHEMBL2082535 0.68 L3MBTL1 (0.44) L3MBTL1ALDH1A1HTTLMNA
SCHEMBL2082460 0.68 NOS3 (0.45) L3MBTL1MAPTHTT
SCHEMBL15275375 0.67 GAA (0.50) CNR2L3MBTL1ALDH1A3MAPTNCF1
SCHEMBL15275373 0.65 IRAK4 (0.46) CNR2L3MBTL1ALDH1A3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 (2 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 CNR2 156/4885L3MBTL1 2244/4885CYP2D6 2228/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CNR2 235/4885L3MBTL1 2510/4885CYP2D6 2881/4885

“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.