SCHEMBL12201007

SCHEMBL12201007

CCC(=O)c1ccc2nonc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
ADORA2A P29274 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
GRIA3 P42263 1/20 0.50
GRIA4 P48058 1/20 0.50
ATM Q13315 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
ENPP2 Q13822 2/20 0.46
EPHX2 P34913 1/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL9731669 0.82 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL2731867 0.82 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL2733233 0.79 GRIA3 (0.54) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL1419962 0.79 CA12 (0.56) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL13753935 0.78 ADORA3 (0.65) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL548490 0.77 GRIA3 (0.56) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL21549027 0.77 ADORA3 (0.46) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL18184673 0.76 RAB9A (0.51) ATMPKMMAPTSMN1; SMN2L3MBTL1
SCHEMBL15500971 0.76 ADORA3 (0.45) ADORA3ADORA2AADORA2BADORA1GRIA3
SCHEMBL1708565 0.76 GRIA3 (0.54) ADORA3ADORA2AADORA2BADORA1GRIA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016172631-A2 SUBSTRATE SELECTIVE INHIBITORS OF INSULIN-DEGRADING ENZYME (IDE) AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-10-27 WO disclosed
US-8445191-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2013-05-21 US disclosed
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
US-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2011-10-06 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 (1 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-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 ADORA3 2944/4885ADORA2A 2833/4885ADORA2B 3112/4885

“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.