Trigonelline

Trigonelline

SCHEMBL195666

C[n+]1cccc(C(=O)[O-])c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 1.00
NNMT P40261 1/20 0.66
APOBEC3A P31941 3/20 0.53
APOBEC3G Q9HC16 3/20 0.53
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
HDAC8 Q9BY41 6/20 0.43
LMNA P02545 3/20 0.43
BCHE P06276 3/20 0.43
GLA P06280 2/20 0.43
ACHE P22303 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
PABPC1 P11940 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAOA P21397 1/20 0.40

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
Trigonelline SCHEMBL29561369 1.00 USP2 (1.00) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL468365 0.98 USP2 (0.96) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL678067 0.98 USP2 (0.96) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL31124498 0.98 USP2 (0.96) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL1022662 0.98 USP2 (0.96) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL5016191 0.94 USP2 (0.89) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL2178281 0.93 USP2 (0.86) USP2NNMTAPOBEC3AAPOBEC3GCA2
Trigonelline SCHEMBL21177574 0.82 USP2 (0.67) USP2NNMTAPOBEC3AAPOBEC3GCA2
SCHEMBL700182 0.81 NNMT (0.68) USP2NNMTAPOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL679317 0.81 NNMT (0.68) USP2NNMTAPOBEC3AAPOBEC3GHDAC8

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

Appears in 4530 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747627-A1 METHODS AND SYSTEMS FOR PREDICTIVE CLASSIFICATION BY MASS SPECTROMETRY AND TRAINED LARGE SPECTRAL MODELS Matterworks Inc (US) 2026-05-27 EP claimed
US-12630513-B2 Process for the preparation of trigonelline or pharmaceutically acceptable salts thereof LAURUS LABS LIMITED (IN) 2026-05-19 US claimed
WO-2026098581-A1 PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD THEREFOR 深圳奥礼生物科技有限公司 2026-05-15 WO claimed
EP-4734992-A1 METHODS AND COMPOSITIONS COMPRISING TRIGONELLINE FOR TREATING MUSCLE DECLINE AND A KIDNEY DYSFUNCTION Société des Produits Nestlé S.A. (CH) 2026-05-06 EP claimed
WO-2026090349-A1 METHODS OF PRODUCING COFFEE DRINKS CALIFORNIA CULTURED INC (US) 2026-04-30 WO claimed
US-20260103449-A1 PRODRUG ATHELIAPYRROLIDINE COMPOUND AND METHODS OF USE UNIV FLORIDA (US) 2026-04-16 US claimed
EP-4720665-A1 METHOD OF DIAGNOSIS AND TREATMENT OF ALZHEIMER'S DISEASE Molecular You Corporation (CA) 2026-04-08 EP claimed
EP-4719378-A1 COMPOSITIONS COMPRISING TRIGONELLINE AND UROLITHIN Amazentis SA (CH) 2026-04-08 EP claimed
US-20260091067-A1 METHODS AND USES OF MICROBIOME COMPOSITIONS, COMPONENTS, OR METABOLITES FOR TREATING INSULIN-ASSOCIATED DISEASES MARVELBIOME INC (US) 2026-04-02 US claimed
EP-4709401-A1 ORAL DELIVERY OF PLANT DERIVED VESICLES AND USES THEREOF Board of Regents, The University of Texas System (US) 2026-03-18 EP claimed
US-4798730-A Hydrolysis of a partially extracted roasted and ground coffee GENERAL FOODS CORPORATION (US) 1989-01-17 US claimed
US-4689230-A Contraceptive composition for external application Sowell, John B. (US) 1987-08-25 US claimed
US-4622218-A Testicular-specific drug delivery UNIVERSITY OF FLORIDA (US) 1986-11-11 US claimed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US claimed
EP-0127670-A4 METHOD AND COMPOSITION FOR THE PROMOTION OF LEGUMINOUS PLANT PRODUCTIVITY AND SEED YIELDS. MANHATTAN COLLEGE (US) 1985-06-10 EP claimed
EP-0127670-A1 METHOD AND COMPOSITION FOR THE PROMOTION OF LEGUMINOUS PLANT PRODUCTIVITY AND SEED YIELDS MANHATTAN COLLEGE (US) 1984-12-12 EP claimed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP claimed
WO-1984002059-A1 METHOD AND COMPOSITION FOR THE PROMOTION OF LEGUMINOUS PLANT PRODUCTIVITY AND SEED YIELDS MANHATTAN COLLEGE (US) 1984-06-07 WO claimed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO claimed
US-4076856-A Methyl xanthine antagonism GENERAL FOODS CORPORATION (US) 1978-02-28 US claimed