SCHEMBL16697212

SCHEMBL16697212

CCn1c(=O)n(C)c(=O)c2c1ncn2C

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.79
PDE4A P27815 6/20 0.79
PDE4B Q07343 6/20 0.79
PDE4C Q08493 6/20 0.79
PDE4D Q08499 6/20 0.79
ADORA2B P29275 9/20 0.68
PIK3CD O00329 1/20 0.67
POLB P06746 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CNR1 P21554 1/20 0.67
ACHE P22303 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
BLM P54132 2/20 0.64
CYP1A2 P05177 1/20 0.64

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
SCHEMBL21381247 0.89 PDE4A (1.00) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4651994 0.88 ADORA2A (0.88) ADORA2APDE4APDE4BPDE4CPDE4D
Fluoride SCHEMBL30358487 0.87 ADORA2A (0.85) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL516446 0.87 ADORA2A (0.74) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL515570 0.85 PDE4A (0.83) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5463424 0.85 ADORA2A (0.72) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4145707 0.85 ADORA2A (0.77) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL16093733 0.84 ADORA2A (0.70) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL8861588 0.84 PDE4A (0.75) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL6291380 0.83 ADORA2A (0.69) 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 67 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
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
EP-3938341-A1 HEXYLAMINE SALTS AND METHODS OF USING HEXYLAMINE Thermolife International, LLC (US) 2022-01-19 EP claimed
WO-2021151094-A1 PARAXANTHINE-BASED BIOACTIVE COMPOSITION AND METHOD OF USE THEREOF Ingenious Ingredients, LP (US) 2021-07-29 WO claimed
US-20200405662-A1 Hexylamine Salts and Methods of Using Hexylamine THERMOLIFE INTERNATIONAL, LLC 2020-12-31 US claimed
WO-2020214841-A1 HEXYLAMINE SALTS AND METHODS OF USING HEXYLAMINE THERMOLIFE INTERNATIONAL, LLC (US) 2020-10-22 WO claimed
EP-3651770-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF IN A SYNERGISTIC COMBINATION WITH CAFFEINE Ortho-Nutra LLC (US) 2020-05-20 EP claimed
US-10398701-B2 Theacrine-based supplement and method of use thereof in a synergistic combination with caffeine ORTHO-NUTRA, LLC (US) 2019-09-03 US claimed
WO-2018211425-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF IN A SYNERGISTIC COMBINATION WITH CAFFEINE ORTHO-NUTRA, LLC (US) 2018-11-22 WO claimed
US-20180104248-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF IN A SYNERGISTIC COMBINATION WITH CAFFEINE ORTHO-NUTRA, LLC (US) 2018-04-19 US claimed
CN-105992521-A TeraPinine-based supplements and methods of use thereof 奥索努特拉有限责任公司 2016-10-05 CN claimed
EP-3068240-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF Ortho-Nutra LLC (US) 2016-09-21 EP claimed
WO-2015073576-A1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF ORTHO-NUTRA, LLC (US) 2015-05-21 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20200405662-A1 Hexylamine Salts and Methods of Using Hexylamine SLC6A2, CPT1B, GYS1 ADORA2A 824/4885PDE4A 1859/4885PDE4B 1657/4885
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.