SCHEMBL20298317

SCHEMBL20298317

COC(=O)c1cc(C)c(Cl)nc1C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.38
ACHE P22303 4/20 0.38
NQO2 P16083 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 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
SCHEMBL7579745 0.83 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL20302447 0.81 ACHE (0.49) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL20298363 0.80 KDM4E (0.42) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL20302989 0.80 GLP1R (0.38) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL20298364 0.79 GAA (0.47) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL19023139 0.79 ACHE (0.41) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL19037342 0.79 KDM4E (0.47) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL1324662 0.78 NPSR1 (0.47) KDM4ESMN1; SMN2L3MBTL1ALDH1A1NPSR1
SCHEMBL25501785 0.77 KDM4E (0.40) KDM4ESMN1; SMN2NPC1MAPTNFKB1
SCHEMBL26984550 0.76 KEAP1 (0.44) KDM4ESMN1; SMN2NPC1MAPTNFKB1

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 7 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
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-3558306-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 EP 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-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

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-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 KDM4E 748/4885SMN1; SMN2 2700/4885NPC1 2422/4885
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM2 KDM4E 748/4885SMN1; SMN2 2700/4885NPC1 2422/4885

“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.