Sugi Predict

Sugi Predict / Compounds / SCHEMBL10189486

SCHEMBL10189486

SCHEMBL10189486

O=C(O)C1CCc2nccc(=O)n21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 1/20 0.44
▸ ACE P12821 4/20 0.35
▸ KDM4C Q9H3R0 3/20 0.32
▸ KDM4A O75164 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ F11 P03951 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ CASP8 Q14790 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31

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
SCHEMBL11964114 1.00 ADRB3 (0.44) ADRB3ACEKDM4CKDM4ASMN1; SMN2
SCHEMBL31264968 0.98 ADRB3 (0.43) ADRB3ACEKDM4CKDM4ASMN1; SMN2
SCHEMBL16590487 0.86 ADRB3 (0.41) ADRB3KDM4E
SCHEMBL30148124 0.86 ADRB3 (0.41) ADRB3ADRA1AKDM4EMEN1KMT2A
SCHEMBL31119161 0.84 ADRB3 (0.40) ADRB3F11
SCHEMBL16188164 0.82 ADRB3 (0.41) ADRB3SMN1; SMN2
SCHEMBL11964111 0.82 ADRB3 (0.41) ADRB3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10189678 0.82 ADRB3 (0.41) ADRB3SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL18887990 0.77 GRIN2D (0.40) ADRB3
SCHEMBL15160576 0.75 MAP3K5 (0.33) ADRB3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121405707-A Preparation method of (6S) 4,6,7, 8-tetrahydro-4-oxo pyrrolo [1,2-a ] pyrimidine-6-carboxylic acid 江西同和药业股份有限公司 2026-01-27 — — CN disclosed
CN-121405707-A Preparation method of (6S) 4,6,7, 8-tetrahydro-4-oxo pyrrolo [1,2-a ] pyrimidine-6-carboxylic acid 江西同和药业股份有限公司 2026-01-27 — — CN disclosed
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 — — WO disclosed
WO-2024251302-A1 METHOD FOR PREPARING INTERMEDIATE OF ADRENERGIC RECEPTOR AGONIST 重庆博腾制药科技股份有限公司 2024-12-12 — — WO disclosed
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 — — US disclosed
CN-117402117-B Preparation method of 4-pyrimidinone derivative 南京威凯尔生物医药科技有限公司 2024-03-19 — — CN disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 — — EP disclosed
CN-117402117-A Preparation method of 4-pyrimidinone derivative 南京威凯尔生物医药科技有限公司 2024-01-16 — — CN disclosed
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 — — EP disclosed
EP-2274296-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-10-17 — — EP disclosed
EP-2276756-B9 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-08-15 — — EP disclosed
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORPORATION (US) 2012-08-09 — — US disclosed
WO-2012012314-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2012-01-26 — — WO disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 — — EP disclosed
WO-2011043942-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONIST AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORP. (US) 2011-04-14 — — WO disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 — — US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 — — WO disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 — — US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 — — WO 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 (5 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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADRB3 1/4885ACE 839/4885KDM4C 945/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADRB3 1/4885ACE 839/4885KDM4C 945/4885
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT ADRB2, ADRB3, ADRA2A ADRB3 2/4885ACE 988/4885KDM4C 3444/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 ADRB3 2042/4885ACE 891/4885KDM4C 4208/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ADRB3 1/4885ACE 874/4885KDM4C 972/4885

“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.