SCHEMBL2083969

SCHEMBL2083969

CCC(CC)(OC)c1cccnc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.35
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
PLCG1 P19174 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
NPC1 O15118 1/20 0.31
HSP90AA1 P07900 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
CHRNB1 P11230 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNB3 Q05901 1/20 0.31
BACE1 P56817 1/20 0.31
NFE2L2 Q16236 4/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL23177250 0.81 PLCG1 (0.36) P2RX7PLCG1SLC22A12
SCHEMBL2084210 0.81 ALDH1A1 (0.46) PLCG1NPC1L3MBTL1
SCHEMBL2083737 0.80 NFE2L2 (0.36) PLCG1NPC1NFE2L2
SCHEMBL19040928 0.77 P2RX7 (0.37) P2RX7CHRNB2CHRNA4NOS3NOS1
SCHEMBL19388381 0.77 P2RX7 (0.37) P2RX7CHRNB2CHRNA4PLCG1NOS3
SCHEMBL2085301 0.76 P2RX7 (0.40) P2RX7NOS3NOS1NOS2NPC1
SCHEMBL14163817 0.75 ACHE (0.36) L3MBTL1
SCHEMBL21742264 0.72 SMN1; SMN2 (0.45) L3MBTL1
SCHEMBL22140286 0.71 P2RX7 (0.33) P2RX7
SCHEMBL799554 0.71 CA2 (0.41) P2RX7PLCG1NOS3NOS1NOS2

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 5 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
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-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 P2RX7 75/4885CHRNB2 1753/4885CHRNA4 1557/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 P2RX7 77/4885CHRNB2 1799/4885CHRNA4 1167/4885

“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.