SCHEMBL27245877

SCHEMBL27245877

COc1cnc2c(c1)CN(C(=O)O)C2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 9/20 0.44
ABHD6 Q9BV23 1/20 0.40
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KCNH2 Q12809 1/20 0.35
SLC6A9 P48067 2/20 0.35
CHRM4 P08173 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29972597 1.00 RYR2 (0.44) RYR2ABHD6ESR1ESR2KCNH2
SCHEMBL29972813 0.87 ABHD6 (0.45) RYR2ABHD6ESR1ESR2KCNH2
SCHEMBL24761127 0.87 ABHD6 (0.45) RYR2ABHD6ESR1ESR2KCNH2
SCHEMBL30850852 0.84 RYR2 (0.44) RYR2ABHD6
SCHEMBL30850927 0.81 RYR2 (0.37) RYR2ABHD6SLC6A9KDM4E
SCHEMBL26607680 0.79 RAB9A (0.41) ABHD6KDM4E
SCHEMBL21591731 0.76 ABHD6 (0.59) ABHD6KCNH2KDM4E
SCHEMBL15880544 0.74 ESR1 (0.57) RYR2ABHD6ESR1ESR2
SCHEMBL30677763 0.74 ESR1 (0.57) RYR2ABHD6ESR1ESR2
SCHEMBL31013839 0.74 ABHD6 (0.39) ABHD6SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808102-B 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2021-12-31 CN claimed
CN-111808102-A 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2020-10-23 CN claimed
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2025-04-03 US disclosed
US-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-06-20 US disclosed
CN-111808102-B 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2021-12-31 CN disclosed
CN-111808102-A 3-methoxy-6, 7-dihydro-5H-pyrrolo [3,4-b ] pyridine hydrochloride and synthetic method thereof 南通大学 2020-10-23 CN 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-20240199548-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS RYR2 1921/4885ABHD6 4080/4885ESR1 4028/4885
US-20250108123-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF STING1, IRF3, CGAS RYR2 2941/4885ABHD6 3346/4885ESR1 3431/4885

“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.