SCHEMBL2084784

SCHEMBL2084784

CC(C)Cc1cccnc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
ALDH1A1 P00352 1/20 0.50
GABRA1 P14867 2/20 0.47
GABRB2 P47870 2/20 0.47
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 2/20 0.36
HTT P42858 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL6563481 0.86 GABRA1 (0.47) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL2894516 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1GABRA1GABRB2MEN1
SCHEMBL21573869 0.83 GABRA1 (0.44) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL4033860 0.82 ALDH1A1 (0.43) L3MBTL1ALDH1A1
SCHEMBL23863915 0.81 GABRA1 (0.42) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL19125435 0.81 GABRA1 (0.42) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL12394751 0.80 GABRA1 (0.41) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL12462038 0.80 GABRA1 (0.41) L3MBTL1ALDH1A1GABRA1GABRB2TRPM8
SCHEMBL360470 0.80 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29593270 0.80 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2AKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. 2023-02-23 US disclosed
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 (3 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-20230060003-A1 SPIROCYCLIC O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS MAN2A1, MAN2B2, ST6GAL1 L3MBTL1 4661/4885ALDH1A1 200/4885GABRA1 3712/4885
US-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 L3MBTL1 2244/4885ALDH1A1 357/4885GABRA1 2491/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 L3MBTL1 2510/4885ALDH1A1 424/4885GABRA1 2225/4885

“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.