SCHEMBL2082583

SCHEMBL2082583

Cc1cccnc1CNCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
PKM P14618 1/20 0.54
GPR119 Q8TDV5 3/20 0.50
TGFBR1 P36897 2/20 0.50
GRIN2B Q13224 3/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
HTR6 P50406 1/20 0.46
POLB P06746 1/20 0.46
FAAH O00519 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
DTYMK P23919 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL2085416 0.89 NAMPT (0.51) KDM4EPKMGPR119TGFBR1FNTA
SCHEMBL2085168 0.88 ACKR3 (0.50) FNTAFNTBHTR6
SCHEMBL2083709 0.86 GPR119 (0.51) KDM4EPKMGPR119POLBDTYMK
SCHEMBL22594810 0.83 KDM4E (0.59) KDM4EPKMGPR119TGFBR1GRIN2B
SCHEMBL2082185 0.82 GPR119 (0.49) KDM4EPKMGPR119TGFBR1GRIN2B
SCHEMBL20483157 0.81 ACKR3 (0.58) POLBDTYMKMAPT
SCHEMBL8702720 0.80 NAMPT (0.61) KDM4EPKMGPR119GRIN2B
SCHEMBL2082179 0.80 GPR119 (0.51) GPR119POLBDTYMK
SCHEMBL7985552 0.78 KDM4E (0.69) KDM4EPKMGPR119TGFBR1HTR6
SCHEMBL3035919 0.77 GRIN2B (0.68) KDM4EPKMGPR119TGFBR1GRIN2B

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 KDM4E 3901/4885PKM 3610/4885GPR119 294/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 KDM4E 3210/4885PKM 3844/4885GPR119 159/4885

“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.