SCHEMBL2082202

SCHEMBL2082202

Cc1cccnc1CN(Cc1ncccc1C)CC1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
BACE1 P56817 2/20 0.43
ACKR3 P25106 1/20 0.43
CTSD P07339 1/20 0.43
NR1D1 P20393 1/20 0.43
GLS O94925 2/20 0.42
KAT7 O95251 1/20 0.42
KAT8 Q9H7Z6 1/20 0.42
CYP2C9 P11712 1/20 0.42
IRAK1 P51617 1/20 0.42
KDM1A O60341 1/20 0.42
GPR119 Q8TDV5 2/20 0.41
BCHE P06276 2/20 0.40
HTR6 P50406 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
POLB P06746 1/20 0.40
HPGDS O60760 1/20 0.40

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
SCHEMBL2083943 0.90 NAMPT (0.43) FNTAFNTBNR1D1GPR119POLB
SCHEMBL2082185 0.88 GPR119 (0.49) FNTAFNTBGPR119POLB
SCHEMBL2083068 0.85 CHRNB2 (0.43) FNTAFNTBPOLB
SCHEMBL2085168 0.83 ACKR3 (0.50) FNTAFNTBBACE1ACKR3CTSD
SCHEMBL5574466 0.80 GPR119 (0.39) GPR119POLB
SCHEMBL13071833 0.79 BACE1 (0.48) FNTAFNTBBACE1ACKR3CTSD
SCHEMBL3163538 0.78 GPR119 (0.50) FNTAFNTBBACE1ACKR3CTSD
SCHEMBL2082179 0.78 GPR119 (0.51) GPR119POLB
SCHEMBL7946352 0.75 FEN1 (0.55) ACKR3KAT7KAT8IRAK1KDM1A
SCHEMBL7946350 0.75 FEN1 (0.55) ACKR3KAT7KAT8IRAK1KDM1A

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 FNTA 3199/4885FNTB 3441/4885BACE1 2857/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 FNTA 2476/4885FNTB 3415/4885BACE1 3778/4885

“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.