SCHEMBL2085129

SCHEMBL2085129

CC(NC1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.52
ADORA2B P29275 7/20 0.52
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
EPHX2 P34913 1/20 0.46
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 1/20 0.44
DRD2 P14416 3/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
BTK Q06187 2/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.41

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
SCHEMBL2083282 0.83 GPR119 (0.57) ADORA2AADORA2BADORA3L3MBTL1
SCHEMBL2674706 0.81 GAA (0.47) ADORA2AADORA2BADORA3ADORA1L3MBTL1
SCHEMBL21522398 0.79 KDM1A (0.53) KDM1AMAOBEPHX2CKS1BSKP1
SCHEMBL22570099 0.79 KDM1A (0.53) KDM1AMAOBEPHX2CKS1BSKP1
SCHEMBL14841096 0.79 ATM (0.45) ADORA2AADORA2BADORA3KMT2AL3MBTL1
SCHEMBL14841095 0.79 ATM (0.45) ADORA2AADORA2BADORA3KMT2AL3MBTL1
SCHEMBL24131021 0.76 KDM1A (0.50) KDM1AMAOBEPHX2CKS1BSKP1
SCHEMBL21522326 0.76 KDM1A (0.50) KDM1AMAOBEPHX2CKS1BSKP1
SCHEMBL28905492 0.75 KDM1A (0.57) KDM1AMAOBEPHX2CKS1BSKP1
SCHEMBL28472061 0.75 GAA (0.53) ADORA2AADORA2BADORA3ADORA1L3MBTL1

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 ADORA2A 66/4885ADORA2B 144/4885KDM1A 3517/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ADORA2A 58/4885ADORA2B 148/4885KDM1A 3012/4885

“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.