SCHEMBL2084975

SCHEMBL2084975

Cc1cccc(CC(CCCN)NC(C)c2ccccn2)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 11/20 0.53
SCN8A Q9UQD0 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH1 P35367 2/20 0.35
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
ADORA1 P30542 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM5 P41594 1/20 0.32

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
Hydrochloric Acid SCHEMBL4566243 0.87 HRH1 (0.41) CXCR4TLR7HRH1
SCHEMBL2083756 0.82 CXCR4 (0.53) CXCR4TLR7HRH1
SCHEMBL2085127 0.80 CXCR4 (0.52) CXCR4SCN8AHSP90AA1HSP90AB1ADORA3
Hydrochloric Acid SCHEMBL2083504 0.79 CXCR4 (0.51) CXCR4SCN8AHSP90AA1HSP90AB1ADORA3
SCHEMBL4566425 0.79 HRH1 (0.38) CXCR4HRH1
SCHEMBL2084798 0.77 CXCR4 (0.52) CXCR4TLR7HSP90AA1HSP90AB1ADORA3
SCHEMBL2084301 0.76 CXCR4 (0.55) CXCR4SCN8AHSP90AA1HSP90AB1ADORA3
SCHEMBL2083954 0.76 CXCR4 (0.40) CXCR4HSP90AA1HSP90AB1ADORA3
SCHEMBL5576610 0.74 CXCR4 (0.51) CXCR4SCN8AHRH1HSP90AA1HSP90AB1
SCHEMBL2084903 0.72 CXCR4 (0.48) CXCR4SCN8A

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
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 CXCR4 1/4885SCN8A 4775/4885TLR7 371/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885SCN8A 4681/4885TLR7 280/4885

“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.