SCHEMBL20303072

SCHEMBL20303072

COc1ccc(OC2CCN(c3nc(C#N)ncc3C)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 15/20 0.56
▸ OXTR P30559 1/20 0.43
▸ AVPR1A P37288 1/20 0.43
▸ RET P07949 1/20 0.43
▸ CTSS P25774 1/20 0.42
▸ GPR6 P46095 1/20 0.41

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
SCHEMBL20303340 0.86 CHRM4 (0.61) CHRM4OXTRAVPR1ARET
SCHEMBL29595675 0.86 CHRM4 (0.61) CHRM4OXTRAVPR1ARET
SCHEMBL20303121 0.84 CHRM4 (0.63) CHRM4OXTRAVPR1ARET
SCHEMBL20302566 0.82 CHRM4 (0.60) CHRM4RET
SCHEMBL20302132 0.82 CHRM4 (0.57) CHRM4RET
SCHEMBL20303016 0.81 CHRM4 (0.58) CHRM4OXTRAVPR1AGPR6
SCHEMBL20303080 0.81 CHRM4 (0.62) CHRM4OXTRAVPR1ARET
SCHEMBL20298643 0.81 CHRM4 (0.56) CHRM4OXTRAVPR1ARET
SCHEMBL20302133 0.81 CHRM4 (0.60) CHRM4OXTRAVPR1ARET
SCHEMBL20302392 0.79 CHRM4 (0.57) CHRM4OXTRAVPR1ARET

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
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

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 CHRM4 2/4885OXTR 209/4885AVPR1A 478/4885
US-20200095261-A1 6,5-FUSED HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM2 CHRM4 2/4885OXTR 209/4885AVPR1A 478/4885

“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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