SCHEMBL19046609

SCHEMBL19046609

Cc1cc2c(nc1N1CCC(Oc3ccc4c(c3)CC(=O)C4)CC1)CNC2O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 12/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ FPR2 P25090 1/20 0.33
▸ PROKR1 Q8TCW9 1/20 0.33
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ TIPARP Q7Z3E1 1/20 0.32

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
SCHEMBL19046569 0.83 CHRM4 (0.56) CHRM4
SCHEMBL19022721 0.82 CHRM4 (0.70) CHRM4HRH3FPR2PROKR1MAOA
SCHEMBL19046618 0.78 CHRM4 (0.44) CHRM4
SCHEMBL19023143 0.73 CHRM4 (0.68) CHRM4HRH3BRD4
SCHEMBL19022567 0.73 CHRM4 (0.68) CHRM4HRH3BRD4
SCHEMBL19022570 0.73 CHRM4 (0.68) CHRM4HRH3BRD4
SCHEMBL19022869 0.72 CHRM4 (0.69) CHRM4HRH3BRD4MAOAMAOB
SCHEMBL19022584 0.72 CHRM4 (0.72) CHRM4HRH3MAOAMAOBTIPARP
SCHEMBL19046639 0.71 CHRM4 (0.40) CHRM4
SCHEMBL19022934 0.71 CHRM4 (0.70) CHRM4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2019-06-25 — — US disclosed
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 (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-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 2/4885HRH3 192/4885BRD4 552/4885
US-10329289-B2 6,7-dihydro-5H-pyrrolo[3,4-B]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 CHRM4 2/4885HRH3 192/4885BRD4 552/4885

“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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