SCHEMBL516446

SCHEMBL516446

CCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.74
PDE4A P27815 4/20 0.74
PDE4B Q07343 4/20 0.74
PDE4C Q08493 4/20 0.74
PDE4D Q08499 4/20 0.74
ADORA2B P29275 9/20 0.70
BLM P54132 2/20 0.68
GLA P06280 1/20 0.68
ACHE P22303 2/20 0.67
PIK3CD O00329 1/20 0.67
POLB P06746 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CNR1 P21554 1/20 0.67
ADORA1 P30542 1/20 0.67
NTSR1 P30989 1/20 0.67
MC3R P41968 1/20 0.67
NOTUM Q6P988 1/20 0.67
SIRT3 Q9NTG7 1/20 0.67
GDA Q9Y2T3 1/20 0.67
NR2E1 Q9Y466 1/20 0.67

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
Bisdionin B SCHEMBL29896692 0.90 ADORA2B (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL315740 0.89 ADORA2B (0.82) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL10018599 0.88 ADORA2B (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4651994 0.88 ADORA2A (0.88) ADORA2APDE4APDE4BPDE4CPDE4D
Bisdionin D SCHEMBL16120988 0.87 ADORA2B (0.79) ADORA2APDE4APDE4BPDE4CPDE4D
Fluoride SCHEMBL30358487 0.87 ADORA2A (0.85) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL16697212 0.87 ADORA2A (0.79) ADORA2APDE4APDE4BPDE4CPDE4D
Bisdionin C SCHEMBL10018600 0.87 CHIT1 (0.75) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL516018 0.86 PDE4A (0.78) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL7384278 0.85 ADORA2B (0.68) ADORA2APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3651770-B1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF IN A SYNERGISTIC COMBINATION WITH CAFFEINE ORTHO NUTRA LLC (US) 2023-11-08 EP claimed
WO-2023064511-A9 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2023-06-08 WO claimed
WO-2023064511-A1 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2023-04-20 WO claimed
US-20230115966-A1 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF PX ING, LLC 2023-04-13 US claimed
CN-115811955-A Bioactive compositions based on para-xanthines and methods of use thereof 独创成分有限合伙公司 2023-03-17 CN claimed
US-20230072854-A1 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF PX ING, LLC 2023-03-09 US claimed
US-11541020-B2 Hexylamine salts and methods of using hexylamine THERMOLIFE INTERNATIONAL, LLC (US) 2023-01-03 US claimed
EP-4093296-A1 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2022-11-30 EP claimed
CN-115279197-A Enhanced caffeine-containing beverage composition 奥索努特拉有限责任公司 2022-11-01 CN claimed
EP-3938341-A1 HEXYLAMINE SALTS AND METHODS OF USING HEXYLAMINE Thermolife International, LLC (US) 2022-01-19 EP claimed
US-20150132280-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF ORTHO-NUTRA, LLC (US) 2015-05-14 US claimed
CN-100402093-C Medicine used in medical breath diagnosis YONGJIAN MA (CN) 2008-07-16 CN claimed
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO 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 (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-11541020-B2 Hexylamine salts and methods of using hexylamine SLC6A2, CPT1B, GYS1 ADORA2A 824/4885PDE4A 1859/4885PDE4B 1657/4885

“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.