SCHEMBL2084963

SCHEMBL2084963

Cc1cccnc1CNC1CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKT1 P31749 3/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NOS2 P35228 1/20 0.36
GPR119 Q8TDV5 2/20 0.35
USP30 Q70CQ3 1/20 0.35
MCL1 Q07820 1/20 0.34
NAMPT P43490 1/20 0.34
LTA4H P09960 1/20 0.34
BTK Q06187 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34

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
SCHEMBL2084962 1.00 SSTR4 (0.38) SSTR4TDP1AKT1PDCD1CD274
SCHEMBL2084606 0.85 ACKR3 (0.36) SSTR4TDP1AKT1GPR119
SCHEMBL2083709 0.83 GPR119 (0.51) SSTR4NOS2GPR119USP30BTK
SCHEMBL12934900 0.79 BTK (0.46) SSTR4AKT1BTKDRD2
SCHEMBL2084145 0.79 BTK (0.46) SSTR4AKT1BTKDRD2
SCHEMBL2084148 0.79 BTK (0.46) SSTR4AKT1BTKDRD2
SCHEMBL22730802 0.75 HSD11B1 (0.37) NAMPT
SCHEMBL4790964 0.75 CXCR4 (0.41) AKT1NAMPTDRD2
SCHEMBL4790965 0.75 CXCR4 (0.41) AKT1NAMPTDRD2
SCHEMBL22946500 0.74 CTSK (0.37) NAMPTBTK

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 4293/4885TDP1 2809/4885AKT1 508/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885TDP1 3540/4885AKT1 732/4885

“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.