SCHEMBL2083097

SCHEMBL2083097

CC(=O)NCCCN(Cc1ncc(C)cc1C)Cc1ncccc1C(C)(C)OC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 7/20 0.35
VDR P11473 4/20 0.33
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
RORC P51449 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
P2RY1 P47900 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
SCHEMBL2084323 0.91 CXCR4 (0.37) CXCR4VDR
SCHEMBL2084295 0.90 CYP3A4 (0.40) CXCR4L3MBTL1MAPT
SCHEMBL2083998 0.89 CXCR4 (0.36) CXCR4VDRMTNR1AMTNR1BL3MBTL1
SCHEMBL2083102 0.88 CXCR4 (0.43) CXCR4
SCHEMBL2081542 0.88 CXCR4 (0.47) CXCR4
SCHEMBL2084774 0.86 KDM4E (0.34) CXCR4L3MBTL1POLB
SCHEMBL2084724 0.79 CXCR4 (0.38) CXCR4
SCHEMBL2085143 0.76 CYP3A4 (0.42) CXCR4L3MBTL1MAPT
SCHEMBL2083870 0.75 CXCR4 (0.38) CXCR4
SCHEMBL2083510 0.74 KDM4E (0.36) CXCR4L3MBTL1POLB

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 CXCR4 1/4885VDR 382/4885MTNR1A 395/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885VDR 266/4885MTNR1A 611/4885

“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.