SCHEMBL2083282

SCHEMBL2083282

CC(NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.57
ADORA2B P29275 7/20 0.56
ADORA2A P29274 6/20 0.56
ADORA3 P0DMS8 1/20 0.56
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
USP30 Q70CQ3 2/20 0.52
NOS2 P35228 1/20 0.48
MMP13 P45452 1/20 0.47

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
SCHEMBL2085129 0.83 ADORA2A (0.52) ADORA2BADORA2AADORA3L3MBTL1
SCHEMBL13991764 0.83 GPR119 (0.53) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL4914447 0.83 GPR119 (0.53) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL1328780 0.81 GPR119 (0.60) GPR119ADORA2BADORA2AUSP30MMP13
SCHEMBL25221384 0.81 GPR119 (0.53) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL9933572 0.81 GPR119 (0.53) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL209901 0.81 GPR119 (0.53) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL1087667 0.81 NOS2 (0.72) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL12125611 0.79 GPR119 (0.54) GPR119ADORA2BADORA2AADORA3ALDH1A1
SCHEMBL12128388 0.79 GPR119 (0.56) GPR119ADORA2BADORA2AADORA3USP30

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 GPR119 294/4885ADORA2B 144/4885ADORA2A 66/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 GPR119 159/4885ADORA2B 148/4885ADORA2A 58/4885

“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.