SCHEMBL19046580

SCHEMBL19046580

COc1ccc(OC2CC3CCC(C2)N3c2nc3c(cc2C)C(O)NC3)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 5/20 0.44
▸ PIK3CA P42336 7/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ MERTK Q12866 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ OXTR P30559 1/20 0.33
▸ MTOR P42345 2/20 0.33
▸ PRKDC P78527 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
SCHEMBL19022580 0.83 CHRM4 (0.52) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19023207 0.83 CHRM4 (0.52) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19022583 0.83 CHRM4 (0.52) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL20303284 0.70 CHRM4 (0.57) CHRM4OXTR
SCHEMBL20303263 0.70 CHRM4 (0.57) CHRM4OXTR
SCHEMBL20303260 0.70 CHRM4 (0.57) CHRM4OXTR
SCHEMBL19046618 0.70 CHRM4 (0.44) CHRM4
SCHEMBL19023383 0.69 CHRM4 (0.70) CHRM4PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL19046609 0.69 CHRM4 (0.49) CHRM4
SCHEMBL19046569 0.68 CHRM4 (0.56) CHRM4OXTR

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 2/4885PIK3CA 1421/4885DRD2 177/4885
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 2/4885PIK3CA 1421/4885DRD2 177/4885

“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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