SCHEMBL2115731

SCHEMBL2115731

CCOC(=O)n1nnc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.58
MGAM O43451 10/20 0.58
AMY1A P0DUB6 10/20 0.58
SI P14410 10/20 0.58
MGAM2 Q2M2H8 10/20 0.58
F12 P00748 5/20 0.56
KMT2A Q03164 3/20 0.55
F2 P00734 2/20 0.55
HPGD P15428 1/20 0.55
SLC9A1 P19634 1/20 0.55
MIF P14174 1/20 0.54
HSD17B10 Q99714 3/20 0.53
HTT P42858 3/20 0.53
NPSR1 Q6W5P4 3/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 2/20 0.53
ASAH1 Q13510 1/20 0.53
MITF O75030 1/20 0.53
MAPK1 P28482 1/20 0.53
DGAT1 O75907 1/20 0.53

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
SCHEMBL14193247 0.89 GAA (0.57) GAAMGAMAMY1ASIMGAM2
SCHEMBL3944546 0.87 MGAM (0.65) GAAMGAMAMY1ASIMGAM2
SCHEMBL27397872 0.86 MGAM (0.54) GAAMGAMAMY1ASIMGAM2
SCHEMBL9601344 0.84 ASAH1 (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL27972637 0.84 ASAH1 (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL11490925 0.84 ASAH1 (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL27972795 0.84 ASAH1 (0.62) GAAMGAMAMY1ASIMGAM2
SCHEMBL27398405 0.84 F12 (0.50) GAAMGAMAMY1ASIMGAM2
SCHEMBL425817 0.83 FAAH (0.69)
SCHEMBL459733 0.83 GAA (0.60) GAAMGAMAMY1ASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US claimed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US claimed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP claimed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO claimed
US-4187186-A WEAR, OXIDATION AND CORROSION RESISTANT MOBIL OIL CORPORATION (US) 1980-02-05 US claimed
WO-2024065582-A1 ELECTROCHEMICAL DEVICE AND ELECTRONIC DEVICE 宁德新能源科技有限公司 2024-04-04 WO disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDTJYLLAND (DK) 2013-05-16 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
US-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS REGION MIDT JYLLAND (DK) 2012-04-19 US disclosed
EP-2398760-A1 ALLOSTERIC BINDING COMPOUNDS Aarhus Universitet (DK) 2011-12-28 EP disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
WO-2010094289-A1 ALLOSTERIC BINDING COMPOUNDS AARHUS UNIVERSITET (DK) 2010-08-26 WO disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
WO-2001012150-A1 COSMETIC COMPOSITIONS WITH THERMOCHROMIC COLOR CHANGE SUBSTANCES AND AN AGENT FOR INDUCING A TEMPERATURE CHANGE UNILEVER PLC (GB) 2001-02-22 WO disclosed
US-4847178-A Positive photosensitive o-quinone diazide composition with benzotriazole carboxylic acid or alkyl ester TOKYO OHKA KOGYO CO., LTD. (JP) 1989-07-11 US disclosed
US-4187186-A WEAR, OXIDATION AND CORROSION RESISTANT MOBIL OIL CORPORATION (US) 1980-02-05 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-20120095048-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B GAA 2221/4885MGAM 4382/4885AMY1A 3836/4885
US-20130123326-A1 ALLOSTERIC BINDING COMPOUNDS GRIN2C, GRM2, GRIN2B GAA 2221/4885MGAM 4382/4885AMY1A 3836/4885

“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.