SCHEMBL2082298

SCHEMBL2082298

COC(=O)C1CCC(N(Cc2ncc(C)cc2C)Cc2ncccc2C(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 4/20 0.39
ABL1 P00519 3/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
LPAR1 Q92633 2/20 0.31
CYP3A4 P08684 1/20 0.31
SYK P43405 2/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
BTK Q06187 1/20 0.31
ADORA2A P29274 1/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
KCNMA1 Q12791 1/20 0.30
SSTR1 P30872 1/20 0.30
SSTR4 P31391 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
SCHEMBL2082294 1.00 CXCR4 (0.39) CXCR4ABL1WNT1GSK3BDYRK1A
SCHEMBL12935509 0.89 CXCR4 (0.39) CXCR4ABL1GSK3BDYRK1ALPAR1
SCHEMBL2082218 0.89 CXCR4 (0.39) CXCR4ABL1GSK3BDYRK1ALPAR1
SCHEMBL2083283 0.85 CXCR4 (0.39) CXCR4GSK3BDYRK1ALPAR1LMNA
SCHEMBL12935370 0.84 CXCR4 (0.44) CXCR4
SCHEMBL2082676 0.84 CXCR4 (0.44) CXCR4
SCHEMBL2082680 0.84 CXCR4 (0.44) CXCR4
SCHEMBL23428604 0.83 CXCR4 (0.46) CXCR4GSK3BDYRK1ABTKMEN1
SCHEMBL5058354 0.83 CXCR4 (0.39) CXCR4CYP3A4MEN1KMT2ALMNA
SCHEMBL2084022 0.82 CXCR4 (0.38) CXCR4GSK3BDYRK1ALMNA

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 5 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
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 1/4885ABL1 1977/4885WNT1 332/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CXCR4 1/4885ABL1 702/4885WNT1 614/4885

“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.