SCHEMBL2083756

SCHEMBL2083756

Cc1ccc(CC(CCCN)NC(C)c2ccccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 13/20 0.53
P2RX3 P56373 1/20 0.37
HRH1 P35367 1/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
GPR142 Q7Z601 2/20 0.31

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) CXCR4HRH1TLR7
SCHEMBL2084301 0.83 CXCR4 (0.55) CXCR4CHRM2GPR142
SCHEMBL2084975 0.82 CXCR4 (0.53) CXCR4HRH1TLR7
SCHEMBL4566425 0.81 HRH1 (0.38) CXCR4HRH1
SCHEMBL2085127 0.80 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL2083504 0.79 CXCR4 (0.51) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2084798 0.77 CXCR4 (0.52) CXCR4CHRM2CHRM4CHRM5CHRM1
SCHEMBL2087023 0.76 CXCR4 (0.52) CXCR4P2RX3GPR142
SCHEMBL5576980 0.76 CXCR4 (0.46) CXCR4P2RX3CHRM2CHRM4CHRM5
SCHEMBL2083954 0.76 CXCR4 (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
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 1/4885P2RX3 57/4885HRH1 556/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885P2RX3 62/4885HRH1 412/4885

“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.