SCHEMBL3605978

SCHEMBL3605978

CC(C)(C)OC(=O)N1CCC(Oc2cccc(C#N)c2)CC1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.69
ALK Q9UM73 1/20 0.56
MGLL Q99685 7/20 0.54
EPHX2 P34913 1/20 0.53
KDM1A O60341 1/20 0.49

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
SCHEMBL15050771 0.94 GPR119 (0.64) GPR119ALKMGLLEPHX2KDM1A
SCHEMBL21825159 0.93 GPR119 (0.61) GPR119ALKMGLLEPHX2
SCHEMBL21887547 0.93 GPR119 (0.61) GPR119ALKMGLLEPHX2
SCHEMBL4555874 0.92 GPR119 (0.60) GPR119ALKMGLLEPHX2
SCHEMBL14861962 0.88 GPR119 (0.54) GPR119ALKMGLLEPHX2
SCHEMBL30324507 0.88 GPR119 (0.54) GPR119ALKMGLLEPHX2
SCHEMBL225375 0.86 GPR119 (0.91) GPR119ALK
SCHEMBL19023578 0.85 GPR119 (0.51) GPR119ALKMGLLEPHX2
SCHEMBL19023577 0.85 GPR119 (0.51) GPR119ALKMGLLEPHX2
SCHEMBL19023579 0.85 GPR119 (0.51) GPR119ALKMGLLEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394061-B1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-03-11 EP disclosed
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor Merck Sharop & Dohme, Corp. (US) 2019-07-16 US disclosed
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor Merck Sharop & Dohme, Corp. (US) 2019-07-16 US disclosed
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2019-06-25 US disclosed
EP-3394061-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2018-10-31 EP disclosed
WO-2017112719-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017107087-A1 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
WO-2017112719-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO disclosed
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 US disclosed
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 US disclosed
US-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 US disclosed
US-7723331-B2 Thienopyrimidine compounds and uses thereof ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2121703-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 EP disclosed
US-20080051405-A1 Therapeutic Agents ASTRAZENECA AB (SE) 2008-02-28 US disclosed
WO-2008020799-A1 THIENOPYRIMIDIN-4-ONE AND THIENOPYRIDAZIN-7-ONE DERIVATIVES AS MCH RL ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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 (5 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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM1 GPR119 293/4885ALK 1688/4885MGLL 3312/4885
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 GPR119 293/4885ALK 1688/4885MGLL 3312/4885
US-20080051405-A1 Therapeutic Agents GPR119, HTT, IAPP GPR119 1/4885ALK 4876/4885MGLL 509/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 GPR119 179/4885ALK 1908/4885MGLL 2853/4885
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 GPR119 293/4885ALK 1688/4885MGLL 3312/4885

“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.