SCHEMBL19023058

SCHEMBL19023058

Cc1cc2c(nc1N1CCC(Oc3cccc(F)c3)CC1)CNC2=O

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 8/20 0.69
▸ MLNR O43193 4/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ SCD O00767 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL19023040 0.90 CHRM4 (0.71) CHRM4SLC6A2SLC6A4SLC6A3SCD
SCHEMBL19022640 0.89 CHRM4 (0.70) CHRM4HTR2CHTR2AHTR2BSLC6A2
SCHEMBL19023226 0.89 CHRM4 (0.72) CHRM4MLNRSCD
SCHEMBL19022643 0.89 CHRM4 (0.72) CHRM4SCN9ASCD
SCHEMBL19023087 0.88 CHRM4 (0.69) CHRM4SCN9AHTR2CSLC6A2SLC6A4
SCHEMBL19022867 0.87 CHRM4 (0.73) CHRM4
SCHEMBL19023106 0.87 CHRM4 (0.73) CHRM4SCN9ASCD
SCHEMBL19022838 0.87 CHRM4 (0.73) CHRM4
SCHEMBL19022909 0.87 CHRM4 (0.67) CHRM4SCD
SCHEMBL19023378 0.86 CHRM4 (0.66) CHRM4SCD

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 13 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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
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

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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM1 CHRM4 2/4885MLNR 191/4885SCN9A 3041/4885
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 CHRM4 2/4885MLNR 191/4885SCN9A 3041/4885
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 CHRM4 2/4885MLNR 191/4885SCN9A 3041/4885

“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.

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