SCHEMBL2084915

SCHEMBL2084915

Cc1cc(Cl)cnc1CNCCCCN(CCF)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.39
SSTR4 P31391 2/20 0.32
CCR6 P51684 1/20 0.31
PAX8 Q06710 1/20 0.31
STK17B O94768 1/20 0.31
STK17A Q9UEE5 1/20 0.31
S1PR3 Q99500 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
SCHEMBL2084235 0.86 BCHE (0.34) CA14SSTR4STK17BSTK17AS1PR3
SCHEMBL2083325 0.82 SSTR4 (0.36) SSTR4
SCHEMBL2083813 0.79 STK17B (0.47) STK17BSTK17A
SCHEMBL2082883 0.76 BCHE (0.35) CA14SSTR4
SCHEMBL2085272 0.72 SSTR4 (0.35) SSTR4
SCHEMBL21743819 0.71 CPB2 (0.36) CA14SSTR4
SCHEMBL2086074 0.69 MAOA (0.46) STK17BSTK17A
SCHEMBL2761382 0.67 CA14 (0.51) CA14CCR6PAX8STK17BSTK17A
SCHEMBL21790217 0.67 CA14 (0.51) CA14SSTR4
SCHEMBL2082779 0.66 STK17B (0.46) STK17BSTK17A

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 CA14 4109/4885SSTR4 4293/4885CCR6 22/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CA14 3763/4885SSTR4 3287/4885CCR6 20/4885

“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.