SCHEMBL19023239

SCHEMBL19023239

N#Cc1cccc(O[C@H]2CCNC[C@@H]2O)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.52
SLC6A4 P31645 8/20 0.52
SLC6A3 Q01959 6/20 0.52
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
MGLL Q99685 4/20 0.41
KCNH2 Q12809 2/20 0.40
HTR3A P46098 1/20 0.39

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
SCHEMBL19023240 1.00 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL19023711 0.99 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3DRD2DRD3
Hydrochloric Acid SCHEMBL19023710 0.99 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL29594633 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL19037346 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL19023080 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL19023208 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL29594923 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL19023183 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3
SCHEMBL29595447 0.83 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394061-B1 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (US) 2020-03-11 EP disclosed
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor Merck Sharop & Dohme, Corp. (US) 2019-07-16 US disclosed
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
WO-2017107087-A1 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2017-06-29 WO 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 (3 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 SLC6A2 1363/4885SLC6A4 646/4885SLC6A3 431/4885
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 SLC6A2 1363/4885SLC6A4 646/4885SLC6A3 431/4885
US-10351564-B2 6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM1 SLC6A2 1363/4885SLC6A4 646/4885SLC6A3 431/4885

“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.