SCHEMBL2084424

SCHEMBL2084424

Cc1cc(Cl)cnc1CN(CCCCN(C)C(=O)OC(C)(C)C)Cc1ncccc1C(C)(C)c1ccc(F)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.32
HDAC6 Q9UBN7 2/20 0.31
HTR2C P28335 3/20 0.31
SLC6A4 P31645 3/20 0.31
TRPV4 Q9HBA0 1/20 0.31
HTR2A P28223 1/20 0.31
S1PR3 Q99500 1/20 0.31
CXCR4 P61073 1/20 0.31
CACNA1G O43497 1/20 0.31
CACNA1B Q00975 1/20 0.31
CACNA1C Q13936 1/20 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
SCHEMBL23428562 0.90 HDAC6 (0.32) HDAC6CXCR4
SCHEMBL2083172 0.88 HDAC6 (0.36) HDAC6
SCHEMBL2084823 0.88 CYP3A4 (0.35) HDAC6S1PR3CXCR4
SCHEMBL2084695 0.84 CXCR4 (0.41) CXCR4
SCHEMBL2082146 0.83 CXCR4 (0.32) CXCR4
SCHEMBL4561524 0.81 CXCR4 (0.33) CXCR4
SCHEMBL2084797 0.79 CXCR4 (0.36) SSTR4HTR2CSLC6A4TRPV4S1PR3
SCHEMBL2084741 0.79 KDM4E (0.36) CXCR4
SCHEMBL2085954 0.78 CXCR4 (0.35) CXCR4
SCHEMBL2082674 0.78 CXCR4 (0.41) SSTR4HDAC6HTR2CSLC6A4CXCR4

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 SSTR4 4293/4885HDAC6 3403/4885HTR2C 1171/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885HDAC6 2532/4885HTR2C 1580/4885

“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.