SCHEMBL1623091

SCHEMBL1623091

Cc1ccc2[nH]c(=O)[nH]c(=O)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
GRIA1 P42261 2/20 0.40
CACNG8 Q8WXS5 2/20 0.40
KDM4E B2RXH2 3/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
PARP1 P09874 1/20 0.39
TYMP P19971 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL14892522 0.81 GRIA1 (0.41) PDE2APDE3BPDE3AP2RY12HCAR2
SCHEMBL3125353 0.76 PARP1 (0.49) PDE3BPDE3AHCAR2GRIA1CACNG8
SCHEMBL30013759 0.76 PARP1 (0.49) PDE3BPDE3AHCAR2GRIA1CACNG8
SCHEMBL6394620 0.75 GAA (0.38) HCAR2GRIA1CACNG8KDM4ECA12
SCHEMBL6390600 0.75 KMT2A (0.36) HCAR2GRIA1CACNG8KDM4ECA12
SCHEMBL3227967 0.75 PDE3B (0.45) PDE2APDE3BPDE3AP2RY12GRIA1
Hydrochloric Acid SCHEMBL11468924 0.73 PDE3B (0.44) PDE2APDE3BPDE3AP2RY12GRIA1
SCHEMBL13560652 0.73 STING1 (0.44) PDE2APDE3BPDE3AP2RY12KDM4E
SCHEMBL6669696 0.71 KDM4E (0.52) HCAR2KDM4EPARP1TYMPATAD2
SCHEMBL28685441 0.71 GAA (0.57) KDM4EPARP1ALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2573559-B1 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC (US) 2019-03-13 EP disclosed
EP-2062050-B1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC (US) 2016-05-18 EP disclosed
US-8633186-B2 Modulation of chemosensory receptors and ligands associated therewith SENOMYX INC. (US) 2014-01-21 US disclosed
US-8541421-B2 Methods of enhancing sweet taste of compositions using substituted thieno{2,3-D}pyrimidines SENOMYX INC. (US) 2013-09-24 US disclosed
EP-2573559-A1 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-27 EP disclosed
EP-2568287-A2 Modulation of chemosensory receptors and ligands associated Senomyx, Inc. (US) 2013-03-13 EP disclosed
US-20110230502-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2011-09-22 US disclosed
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX INC. (US) 2011-09-15 US disclosed
US-7928111-B2 Compounds including substituted thienopyrimidinone derivatives as ligands for modulating chemosensory receptors SENOMYX, INC. (US) 2011-04-19 US disclosed
EP-2062050-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH Senomyx, Inc. (US) 2009-05-27 EP disclosed
WO-2008154221-A2 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-18 WO disclosed
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH SENOMYX, INC. (US) 2008-12-11 US disclosed
EP-0760819-B1 TRICYCLIC DICARBONYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2000-07-19 EP disclosed
US-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 US disclosed
EP-0760819-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed
WO-1995032205-A1 TRICYCLIC DICARBONYL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1995-11-30 WO 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-20110230502-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 PDE2A 1204/4885PDE3B 2164/4885PDE3A 1503/4885
US-20080306053-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH OR51E2, TAS2R50, TAS2R30 PDE2A 1204/4885PDE3B 2164/4885PDE3A 1503/4885
US-20110224155-A1 MODULATION OF CHEMOSENSORY RECEPTORS AND LIGANDS ASSOCIATED THEREWITH TAS2R30, TAS2R50, TAS2R1 PDE2A 2201/4885PDE3B 3085/4885PDE3A 2880/4885

“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.