SCHEMBL2817347

SCHEMBL2817347

CCOc1ccc(C(N)=O)cn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.72
NNMT P40261 4/20 0.69
PARP10 Q53GL7 1/20 0.58
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 1/20 0.49
OPRK1 P41145 5/20 0.48
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48
GABRA1 P14867 1/20 0.47
TSHR P16473 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
EPHX2 P34913 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KCNH2 Q12809 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
Hydrochloric Acid SCHEMBL5010367 0.98 MAPT (0.70) MAPTNNMTPARP10MKNK1MKNK2
SCHEMBL11546213 0.85 OPRM1 (0.72) MAPTNNMTSMN1; SMN2OPRK1OPRM1
SCHEMBL796493 0.84 MAPT (1.00) MAPTNNMTGABRA1TSHRL3MBTL1
SCHEMBL1092552 0.84 MAPT (0.74) MAPTNNMTPARP10MAPK1L3MBTL1
SCHEMBL1680864 0.83 NNMT (0.61) MAPTNNMTMKNK1MKNK2SMN1; SMN2
SCHEMBL6953681 0.82 NNMT (0.59) MAPTNNMTMKNK1MKNK2OPRK1
SCHEMBL7241060 0.82 MAPT (0.67) MAPTNNMTPARP10MKNK1MKNK2
SCHEMBL27697095 0.82 MAPT (0.72) MAPTNNMTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL13116536 0.82 MAPT (0.62) MAPTNNMTPARP10MKNK1MKNK2
SCHEMBL29975550 0.81 NNMT (1.00) MAPTNNMTPARP10MKNK1MKNK2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP claimed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO claimed
EP-3174886-B1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-02-17 EP disclosed
CN-106661043-B 2-oxa-5-azabicyclo [2.2.1] hept-3-yl derivatives 豪夫迈·罗氏有限公司 2020-01-17 CN disclosed
CN-106459073-B 5- oxa- -2- azabicyclics [2.2.2] octyl- 4- bases and 5- oxa- -2- azabicyclics [2.2.1] hept- 4- radical derivatives as TAAR1 conditioning agents 豪夫迈·罗氏有限公司 2018-11-13 CN disclosed
EP-3149002-B1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS HOFFMANN LA ROCHE (CH) 2018-04-25 EP disclosed
US-9790230-B2 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-10-17 US disclosed
EP-3174886-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-06-07 EP disclosed
US-9663530-B2 5-oxa-2-azabicyclo[2.2.2]OCTAN-4-yl and 5-oxa-2-azabicyclo[2.2.1]heptan-4-yl derivatives HOFFMANN-LA ROCHE INC. (US) 2017-05-30 US disclosed
US-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 US disclosed
EP-3149002-A1 5-OXA-2-AZABICYCLO[2.2.2]OCTAN-4-YL AND 5-OXA-2-AZABICYCLO[2.2.1]HEPTAN-4-YL DERIVATIVES AS TAAR1 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-04-05 EP disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
WO-2004006912-A2 COMBINATION OF AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 WITH CELECOXIB OR VALDECOXIB WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
WO-2004006931-A2 PHARMACEUTICAL COMPOSTIONS COMPRISING AN ALLOSTERIC CARBOXYLIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A SELECTIVE INHIBITOR OF CYCLOOXYGENASE-2 WARNER-LAMBERT COMPANY LLC (US) 2004-01-22 WO disclosed
EP-1368324-A1 QUINAZOLINES AS MMP-13 INHIBITORS Warner-Lambert Company LLC (US) 2003-12-10 EP disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20020193377-A1 Quinazolines as MMP-13 inhibitors ANDRIANJARA CHARLES (FR) 2002-12-19 US disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 WO disclosed
WO-2002064572-A1 QUINAZOLINES AS MMP-13 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 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-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HCRTR2, HCRTR1, CYP11B2 MAPT 2664/4885NNMT 2319/4885PARP10 3058/4885
US-20020193377-A1 Quinazolines as MMP-13 inhibitors MMP13, MMP9, MMP3 MAPT 4823/4885NNMT 150/4885PARP10 2716/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 MAPT 1345/4885NNMT 2333/4885PARP10 2239/4885

“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.