SCHEMBL785508

SCHEMBL785508

O=C1CC2CC=CC=C2O1

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.34

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
SCHEMBL2014272 0.81 TSHR (0.31)
SCHEMBL27675698 0.77
SCHEMBL12465547 0.74
SCHEMBL1442396 0.72
SCHEMBL26129174 0.71
SCHEMBL16896817 0.69
SCHEMBL11499263 0.67
SCHEMBL7358051 0.66
SCHEMBL28508361 0.65 MAPT (0.36) CTRB1
SCHEMBL28889956 0.65 CTRC (0.34) CTRB1

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 117 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117417245-A Method for synthesizing ketoprofen through pyrolytic aromatization reaction 复旦大学 2024-01-19 CN claimed
EP-3644991-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-08-02 EP claimed
EP-3644992-B1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2023-03-29 EP claimed
EP-3644990-B1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2022-11-30 EP claimed
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-24 US claimed
US-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2021-12-09 US claimed
CN-112898317-B Oxazole compound for sterilization and disinfection in hospital care and preparation method and application thereof 河南科技大学第一附属医院 2021-12-07 CN claimed
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor MSD R&D (CHINA) CO., LTD. (CN) 2021-10-19 US claimed
CN-113149997-A Imidazole compound for sterilization and disinfection and preparation method and application thereof 河南科技大学第一附属医院 2021-07-23 CN claimed
CN-112898317-A Oxazole compound for sterilization and disinfection in hospital care and preparation method and application thereof 河南科技大学第一附属医院 2021-06-04 CN claimed
WO-2019000236-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
WO-2019005589-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
WO-2019005587-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
WO-2019005588-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
WO-2019000237-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
WO-2019000238-A1 5-(PYRIDIN-3-YL)OXAZOLE ALLOSTERIC MODULATORS OF M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME CORP. (US) 2019-01-03 WO claimed
EP-1416023-B1 Liquid electrophotographic inks or toners having reduced odors SAMSUNG ELECTRONICS CO LTD (KR) 2007-01-03 EP claimed
US-6986976-B2 Liquid electrophotographic inks or toners having reduced odors SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-01-17 US claimed
US-20040115555-A1 Liquid electrophotographic inks or toners having reduced odors SAMSUNG ELECTRONICS CO., LTD. 2004-06-17 US claimed
EP-1416023-A1 Liquid electrophotographic inks or toners having reduced odors Samsung Electronics Co., Ltd. (KR) 2004-05-06 EP claimed

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-20210380580-A1 3-(1H-PYRAZOL-4-YL)PYRIDINE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM4, CHRM3, CHRM5 CTRB1 3750/4885
US-11339156-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 CTRB1 3750/4885
US-11149036-B2 3-(1H-pyrazol-4-yl)pyridine allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM3, CHRM5 CTRB1 3750/4885

“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.