SCHEMBL29596368

SCHEMBL29596368

C=Cc1ncnc(N2CCC(Oc3cccc(C#N)c3)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 5/20 0.53
DCK P27707 2/20 0.48
GPR6 P46095 2/20 0.47
LRRK2 Q5S007 4/20 0.46
HRH1 P35367 3/20 0.43
CCR3 P51677 3/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PDE10A Q9Y233 1/20 0.42

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
SCHEMBL20298444 1.00 CHRM4 (0.53) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL29596084 0.86 CHRM4 (0.55) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL20302706 0.86 CHRM4 (0.55) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL20298457 0.84 CHRM4 (0.53) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL29595610 0.81 CHRM4 (0.50) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL20298438 0.81 CHRM4 (0.50) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL29594392 0.79 CHRM4 (0.49) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL20302666 0.79 GPR6 (0.51) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL20298516 0.79 CHRM4 (0.51) CHRM4DCKGPR6LRRK2HRH1
SCHEMBL29594463 0.79 GPR6 (0.51) CHRM4DCKGPR6LRRK2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 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 (1 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 1/4885DCK 2633/4885GPR6 142/4885

“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.