SCHEMBL19023216

SCHEMBL19023216

Cn1ncc2cc(O[C@@H]3CCNC[C@H]3F)ccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 1/20 0.52
▸ PRKCZ Q05513 1/20 0.39
▸ CLK2 P49760 3/20 0.39
▸ CLK3 P49761 3/20 0.39
▸ DYRK1A Q13627 3/20 0.39
▸ KDM1A O60341 8/20 0.38
▸ HAO1 Q9UJM8 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ WDR77 Q9BQA1 1/20 0.37
▸ CSF1R P07333 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ FLT3 P36888 3/20 0.36
▸ KIT P10721 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ MAPKAPK2 P49137 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL19049933 1.00 CHRM4 (0.52) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL19023271 1.00 CHRM4 (0.52) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL21461276 1.00 CHRM4 (0.52) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL19023237 1.00 CHRM4 (0.52) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL19022976 1.00 CHRM4 (0.52) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL29419896 0.80 IKBKB (0.54) CHRM4PRKCZDYRK1A
SCHEMBL19023085 0.80 IKBKB (0.54) CHRM4PRKCZDYRK1A
Hydrochloric Acid SCHEMBL31330197 0.76 SLC6A2 (0.44) CHRM4PRKCZCYP2D6
SCHEMBL19025177 0.75 CHRM4 (0.47) CHRM4PRKCZCLK2CLK3DYRK1A
SCHEMBL19041883 0.72 IKBKB (0.38) CHRM4PRKCZCLK2CLK3DYRK1A

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
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — US disclosed
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — US disclosed
EP-3558306-B1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2021-07-07 — — EP disclosed
EP-3558306-B1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2021-07-07 — — EP disclosed
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2020-03-26 — — US disclosed
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
WO-2018112840-A1 6, 5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO disclosed
WO-2018118736-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — 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
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
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

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 CHRM4 2/4885PRKCZ 1357/4885CLK2 4108/4885
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 2/4885PRKCZ 1357/4885CLK2 4108/4885
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 CHRM4 2/4885PRKCZ 1248/4885CLK2 2572/4885
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 2/4885PRKCZ 1357/4885CLK2 4108/4885
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM2 CHRM4 2/4885PRKCZ 1248/4885CLK2 2572/4885

“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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