Trigonelline

Trigonelline

SCHEMBL679317

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

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.68
USP2 O75604 1/20 0.68
APOBEC3A P31941 3/20 0.59
APOBEC3G Q9HC16 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TSHR P16473 2/20 0.48
DAO P14920 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
HDAC8 Q9BY41 6/20 0.45
LMNA P02545 3/20 0.44
BCHE P06276 3/20 0.44
GLA P06280 2/20 0.44
ACHE P22303 2/20 0.44
MAPK1 P28482 1/20 0.44
PABPC1 P11940 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41

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 SCHEMBL29581532 1.00 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL5310723 0.98 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL5013564 0.98 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL15361649 0.98 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL26615275 0.94 NNMT (0.61) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL11786615 0.86 USP2 (0.57) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL8016829 0.83 USP2 (0.58) NNMTUSP2APOBEC3AAPOBEC3GMEN1
SCHEMBL10256967 0.83 NNMT (0.63) NNMTUSP2APOBEC3AAPOBEC3GMEN1
SCHEMBL700182 0.83 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GMEN1
Trigonelline SCHEMBL11771367 0.82 USP2 (0.53) NNMTUSP2APOBEC3AAPOBEC3GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120195298-A Metabolic marker composition for discriminating tobacco grades, screening method and application 哈尔滨脉图精准技术有限公司 2025-06-24 CN claimed
CN-113490489-A Monomethyl fumarate-carrier conjugates and methods of use thereof 旗舰创业创新五公司 2021-10-08 CN claimed
CN-111593378-A Preparation of high corrosion-resistant alkaline zinc-nickel alloy electroplating solution and components of additive 常州新纪元材料科技有限公司 2020-08-28 CN claimed
EP-3630106-A1 COMPOUNDS FOR USE IN REGULATING FOLLICLE MATURATION Aarhus Universitet (DK) 2020-04-08 EP claimed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 CN claimed
WO-2018220126-A1 COMPOUNDS FOR USE IN REGULATING FOLLICLE MATURATION AARHUS UNIVERSITET (DK) 2018-12-06 WO claimed
US-20090209508-A1 Compounds for Photochemotherapy UNIVERSITE DE GENEVE (CH) 2009-08-20 US claimed
EP-1888115-A2 COMPOUNDS FOR PHOTOCHEMOTHERAPY UNIVERSITE DE GENEVE (CH) 2008-02-20 EP claimed
WO-2007023398-A2 COMPOUNDS FOR PHOTOCHEMOTHERAPY UNIVERSITE DE GENEVE (US) 2007-03-01 WO claimed
US-4332792-A Insect attractant ZOECON CORPORATION (US) 1982-06-01 US claimed
JP-5194113-A None JP disclosed
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 disclosed
US-12551472-B2 Compositions and methods using trigonelline to produce intracellular nicotinamide adenine dinucleotide (NAD+) for treating or preventing physiological disorders or states SOCIETE DES PRODUITS NESTLE S.A. (CH) 2026-02-17 US disclosed
US-12491217-B2 Compositions and methods for promoting healthy neural development in an unborn baby THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-09 US disclosed
US-20250262144-A1 Deodorant Java Beard, LLC 2025-08-21 US disclosed
US-4540564-A DIHYDROPYRIDINE AND/OR PYRIDINIUM SALT REDOX CARRIER UNIVERSITY OF FLORIDA (US) 1985-09-10 US disclosed
EP-0110955-A1 BRAIN-SPECIFIC DRUG DELIVERY. UNIV FLORIDA (US) 1984-06-20 EP disclosed
WO-1983003968-A1 BRAIN-SPECIFIC DRUG DELIVERY UNIVERSITY OF FLORIDA (US) 1983-11-24 WO disclosed
US-4332792-A Insect attractant ZOECON CORPORATION (US) 1982-06-01 US disclosed
US-4332792-A Insect attractant ZOECON CORPORATION (US) 1982-06-01 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 (1 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-12551472-B2 Compositions and methods using trigonelline to produce intracellular nicotinamide adenine dinucleotide (NAD+) for treating or preventing physiological disorders or states NLN, NADK, GLS NNMT 74/4885USP2 4688/4885APOBEC3A 1480/4885

“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.