SCHEMBL19037451

SCHEMBL19037451

CCc1cc2c(nc1N1CCC(Oc3ccc4c(cnn4C)c3)[C@@H](F)C1)CN(CCO)C2=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.61
▸ PRMT5 O14744 7/20 0.36
▸ WDR77 Q9BQA1 7/20 0.36
▸ CYP2D6 P10635 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ GPR6 P46095 1/20 0.32
▸ DRD4 P21917 2/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ HAO1 Q9UJM8 1/20 0.30

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
SCHEMBL19022755 1.00 CHRM4 (0.61) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19037452 0.93 CHRM4 (0.72) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19022911 0.93 CHRM4 (0.72) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19023273 0.93 CHRM4 (0.72) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19022862 0.87 CHRM4 (0.61) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19050000 0.84 CHRM4 (0.83) CHRM4PRMT5WDR77KDM2BGPR6
SCHEMBL19023255 0.84 CHRM4 (0.83) CHRM4PRMT5WDR77KDM2BGPR6
SCHEMBL19022661 0.83 CHRM4 (0.40) CHRM4PRMT5WDR77CYP2D6HRH3
SCHEMBL19050014 0.81 CHRM4 (0.78) CHRM4PRMT5WDR77KDM2BGPR6
SCHEMBL19022738 0.81 CHRM4 (0.78) CHRM4PRMT5WDR77KDM2BGPR6

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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC 2017-06-29 — — 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-20170183342-A1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM5, CHRM4, CHRM1 CHRM4 2/4885PRMT5 171/4885WDR77 1345/4885

“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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