SCHEMBL17224867

SCHEMBL17224867

CCOc1cc(C(=O)OC)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALPL P05186 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16619843 0.87 KMT2A (0.51) NPC1RAB9APOLBKMT2AL3MBTL1
SCHEMBL4517538 0.86 MAPK1 (0.53) MAPK1NPC1RAB9APOLBKMT2A
SCHEMBL31530616 0.83 ALDH1A1 (0.49) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL30996674 0.83 TSHR (0.42) MAPK1POLBALDH1A1HCAR2ALPL
SCHEMBL15467909 0.83 HCAR2 (0.56) HCAR2ALPL
SCHEMBL16619632 0.82 MAPK8 (0.46) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL17224847 0.81 MAPK1 (0.51) MAPK1NPC1RAB9APOLBKMT2A
SCHEMBL5618892 0.77 KMT2A (0.51) MAPK1NPC1RAB9APOLBKMT2A
SCHEMBL31130373 0.76 NPC1 (0.49) MAPK1NPC1RAB9APOLBKMT2A
SCHEMBL28835655 0.76 HCAR2 (0.66) MAPK1NPC1RAB9APOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3137459-B1 MORPHOLIN-PYRIDINE DERIVATIVES HAVING AFFINITY TO THE TAAR1 RECEPTOR HOFFMANN LA ROCHE (CH) 2018-05-23 EP disclosed
US-9840501-B2 Morpholin-pyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2017-12-12 US 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-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-05-18 US disclosed
EP-3137459-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2017-03-08 EP disclosed
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-16 US disclosed
WO-2016015333-A1 2-OXA-5-AZABICYCLO [2.2.1] HEPTAN-3-YL DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
WO-2016016292-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2016-02-04 WO disclosed
WO-2015165835-A1 MORPHOLIN-PYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2015-11-05 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 (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-20170137435-A1 2-OXA-5-AZABICYCLO[2.2.1]HEPTAN-3-YL DERIVATIVES HCRTR2, HCRTR1, CYP11B2 MAPK1 2439/4885NPC1 524/4885RAB9A 2360/4885
US-20170044145-A1 MORPHOLIN-PYRIDINE DERIVATIVES OPRM1, MC2R, OPRL1 MAPK1 913/4885NPC1 1204/4885RAB9A 737/4885

“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.