SCHEMBL20303603

SCHEMBL20303603

Cc1c(Cl)ncnc1N1CCC(Oc2ccc3c(cnn3C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 11/20 0.46
▸ PDE3B Q13370 6/20 0.40
▸ PDE3A Q14432 6/20 0.40
▸ PDE10A Q9Y233 6/20 0.40
▸ FPR2 P25090 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ ACACB O00763 1/20 0.37

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
SCHEMBL21461274 0.91 CHRM4 (0.46) CHRM4PDE3BPDE3APDE10AACACB
SCHEMBL20298515 0.87 CHRM4 (0.47) CHRM4FPR2PROKR1DRD4SIGMAR1
SCHEMBL29594521 0.87 CHRM4 (0.47) CHRM4FPR2PROKR1DRD4SIGMAR1
SCHEMBL20302695 0.83 CHRM4 (0.64) CHRM4FPR2PROKR1DRD4SIGMAR1
SCHEMBL20303242 0.80 CHRM4 (0.46) CHRM4PDE3BPDE3APDE10A
SCHEMBL20302429 0.78 CHRM4 (0.52) CHRM4PDE3BPDE3APDE10AACACB
SCHEMBL29595845 0.78 CHRM4 (0.52) CHRM4PDE3BPDE3APDE10AACACB
SCHEMBL17339941 0.78 HRH3 (0.47) CHRM4FPR2PROKR1DRD4SIGMAR1
SCHEMBL20302285 0.76 CHRM4 (0.68) CHRM4PDE3BPDE3APDE10A
SCHEMBL29595618 0.76 CHRM4 (0.68) CHRM4PDE3BPDE3APDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 — — EP claimed
EP-3558310-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR Merck Sharp & Dohme Corp. (US) 2019-10-30 — — EP claimed
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 — — US claimed
WO-2018118734-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2018-06-28 — — WO claimed
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 — — EP disclosed
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 — — EP disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 — — US disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 — — US disclosed
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 — — US disclosed
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-10-17 — — US disclosed
WO-2018118734-A1 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-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 CHRM4 1/4885PDE3B 1645/4885PDE3A 1781/4885
US-20190315708-A1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM2, CHRM5 CHRM4 1/4885PDE3B 1645/4885PDE3A 1781/4885

“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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