SCHEMBL2083709

SCHEMBL2083709

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.51
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
NOS2 P35228 1/20 0.47
BTK Q06187 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 2/20 0.46
DTYMK P23919 1/20 0.45
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
THRB P10828 1/20 0.44
SSTR4 P31391 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
SCHEMBL2082583 0.86 KDM4E (0.54) GPR119POLBMAPTDTYMKKDM4E
SCHEMBL2087175 0.85 USP30 (0.51) GPR119ALDH1A1POLBNOS2MAPT
SCHEMBL3336112 0.85 GPR119 (0.47) GPR119ALDH1A1POLBNPC1MAPT
SCHEMBL2084963 0.83 SSTR4 (0.38) GPR119NOS2BTKUSP30SSTR4
SCHEMBL2084962 0.83 SSTR4 (0.38) GPR119NOS2BTKUSP30SSTR4
SCHEMBL2082191 0.83 EPHX2 (0.48) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL12934900 0.82 BTK (0.46) BTKL3MBTL1SSTR4
SCHEMBL2084145 0.82 BTK (0.46) BTKL3MBTL1SSTR4
SCHEMBL2084148 0.82 BTK (0.46) BTKL3MBTL1SSTR4
SCHEMBL2083614 0.81 GPR119 (0.44) GPR119ALDH1A1POLBUSP30KDM4E

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 GPR119 294/4885ALDH1A1 357/4885POLB 3913/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 GPR119 159/4885ALDH1A1 424/4885POLB 4206/4885

“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.