SCHEMBL20302799

SCHEMBL20302799

COC(=O)c1cc(C)c(Cl)nc1NCc1ccc(OC)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ KDM4C Q9H3R0 1/20 0.48
▸ CYP1A2 P05177 10/20 0.46
▸ CYP3A4 P08684 10/20 0.46
▸ CYP2C19 P33261 10/20 0.46
▸ TSHR P16473 9/20 0.46
▸ CYP2D6 P10635 8/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ CYP2C9 P11712 5/20 0.46
▸ ALOX15 P16050 3/20 0.46
▸ HIF1A Q16665 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ APLNR P35414 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL20302512 0.91 MAPT (0.50) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL20303063 0.91 KDM4C (0.56) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL20302815 0.90 KDM4C (0.50) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL20302866 0.87 CYP1A2 (0.47) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL26601183 0.83 MAPT (0.57) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL30670683 0.83 MAPT (0.57) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL20302809 0.81 AURKA (0.42) MAPTCYP3A4ALDH1A1HIF1AMEN1
SCHEMBL20302513 0.80 APLNR (0.48) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL23981519 0.80 CYP1A2 (0.52) MAPTKDM4CCYP1A2CYP3A4CYP2C19
SCHEMBL30273296 0.80 CYP1A2 (0.52) MAPTKDM4CCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558307-B1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-05-03 — — EP disclosed
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2020-11-17 — — US disclosed
EP-3558307-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 — — EP disclosed
US-20190315762-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 — — US disclosed
WO-2018118735-A1 6,6-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-20190315762-A1 6,6-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM5, CHRM2 MAPT 1152/4885KDM4C 339/4885CYP1A2 647/4885
US-10836775-B2 6,6-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM5, CHRM2 MAPT 1152/4885KDM4C 339/4885CYP1A2 647/4885

“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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