SCHEMBL17025973

SCHEMBL17025973

COc1nc2c([nH]c(=O)n2C)c(=O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
ADRA1D P25100 1/20 0.46
HTR1E P28566 1/20 0.46
CHRNA3 P32297 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRK1 P41145 1/20 0.46
ADORA2B P29275 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
PDE5A O76074 1/20 0.40
POLB P06746 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
SCHEMBL2267443 0.69 CHRNB2 (0.43) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL9301475 0.67 ATAD2 (0.46) ADORA2BCYP3A4ALDH1A1CYP2C19MAPT
SCHEMBL16870007 0.64 CHRNB2 (0.57) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL13875830 0.64 CHRNB2 (0.49) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL2386923 0.64 MEN1 (0.69) ALDH1A1
SCHEMBL9300537 0.63 DPP4 (0.32) KDM4E
SCHEMBL3232066 0.63 PDE4A (0.52) ADORA2BALDH1A1HSD17B10KDM4E
SCHEMBL10712628 0.62 KDM4E (0.76) ADORA2BCYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL23679607 0.62 CHRNB2 (0.54) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A
SCHEMBL21895399 0.62 CHRNB2 (0.54) CHRNB2ADRA1DHTR1ECHRNA3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034137-A1 Compositions and Methods for Cellular Ageing, Stress Resilience, Autophagy, Inflammation and Longevity JUVN3 HOLDINGS, LLC (US) 2026-02-05 US claimed
US-12533327-B2 Hexylamine salts and methods of using hexylamine THERMOLIFE INTERNATIONAL, LLC (US) 2026-01-27 US claimed
US-20240016764-A1 HEXYLAMINE SALTS AND METHODS OF USING HEXYLAMINE THERMOLIFE INTERNATIONAL, LLC 2024-01-18 US claimed
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
US-20230149412-A1 Compositions and Methods for Cellular Ageing, Stress Resilience, Autophagy, Inflammation and Longevity JUVN3 HOLDINGS, LLC (US) 2023-05-18 US 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-20230025435-A1 COMPOSITIONS AND METHODS FOR INCREASING CELLULAR VITALITY AND LONGEVITY AND DECREASING MOLECULAR AGEING JUVN3 HOLDINGS, LLC (US) 2023-01-26 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
US-9468645-B2 Highly soluble purine bioactive compounds and compositions thereof ENERGY BEVERAGES LLC 2016-10-18 US claimed
US-20150238494-A1 HIGHLY SOLUBLE PURINE BIOACTIVE COMPOUNDS AND COMPOSITIONS THEREOF ENERGY BEVERAGES LLC 2015-08-27 US claimed
EP-3068240-B1 THEACRINE-BASED SUPPLEMENT AND METHOD OF USE THEREOF ORTHO NUTRA LLC (US) 2026-04-15 EP disclosed
US-20260062414-A1 NOVEL COCRYSTALS OF METHYLXANTHINES, THEIR POLYMORPHS AND PROCESS THEREOF FERTIS INDIA PVT LTD (IN) 2026-03-05 US disclosed
US-20260034137-A1 Compositions and Methods for Cellular Ageing, Stress Resilience, Autophagy, Inflammation and Longevity JUVN3 HOLDINGS, LLC (US) 2026-02-05 US disclosed
US-11426410-B2 Theacrine-based supplement and method of use thereof in a synergistic combination with caffeine ORTHO-NUTRA, LLC (US) 2022-08-30 US disclosed
US-9468645-B2 Highly soluble purine bioactive compounds and compositions thereof ENERGY BEVERAGES LLC 2016-10-18 US disclosed
US-20150238494-A1 HIGHLY SOLUBLE PURINE BIOACTIVE COMPOUNDS AND COMPOSITIONS THEREOF ENERGY BEVERAGES LLC 2015-08-27 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 (6 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-20260062414-A1 NOVEL COCRYSTALS OF METHYLXANTHINES, THEIR POLYMORPHS AND PROCESS THEREOF HTR3B, PDE4A, SLC6A3 CHRNB2 300/4885ADRA1D 1772/4885HTR1E 12/4885
US-20150238494-A1 HIGHLY SOLUBLE PURINE BIOACTIVE COMPOUNDS AND COMPOSITIONS THEREOF ADORA2A, PNP, P2RX6 CHRNB2 3318/4885ADRA1D 1844/4885HTR1E 799/4885
US-12533327-B2 Hexylamine salts and methods of using hexylamine SLC6A2, SLC6A3, COMT CHRNB2 151/4885ADRA1D 115/4885HTR1E 25/4885
US-20240016764-A1 HEXYLAMINE SALTS AND METHODS OF USING HEXYLAMINE SLC6A2, CPT1B, CHAT CHRNB2 522/4885ADRA1D 1485/4885HTR1E 400/4885
US-11541020-B2 Hexylamine salts and methods of using hexylamine SLC6A2, CPT1B, GYS1 CHRNB2 485/4885ADRA1D 1460/4885HTR1E 357/4885
US-20260034137-A1 Compositions and Methods for Cellular Ageing, Stress Resilience, Autophagy, Inflammation and Longevity TFAM, POT1, CLPX CHRNB2 3823/4885ADRA1D 4148/4885HTR1E 3253/4885

“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.