SCHEMBL516441

SCHEMBL516441

CCCCn1c(C)nc2c1c(=O)n(CC)c(=O)n2CCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.52
PDE4A P27815 7/20 0.52
PDE4B Q07343 7/20 0.52
PDE4C Q08493 7/20 0.52
PDE4D Q08499 7/20 0.52
ADORA2B P29275 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA1 P30542 1/20 0.44
PDE5A O76074 1/20 0.44
CYP3A4 P08684 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL20432259 0.81 USP2 (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL4391919 0.79 CYP1A2 (0.71) CYP1A2CYP2C19RECQLTSHRL3MBTL1
Dimethylamine SCHEMBL11391855 0.75 CYP1A2 (0.66) CYP1A2CYP2C19RECQLTSHRL3MBTL1
Dimethylamine SCHEMBL11384921 0.74 CYP1A2 (0.64) CYP1A2CYP2C19RECQLTSHRL3MBTL1
SCHEMBL13247692 0.74 USP2 (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
Diethylamine SCHEMBL11384275 0.73 CYP1A2 (0.63) CYP1A2CYP2C19RECQLTSHRL3MBTL1
SCHEMBL11384059 0.73 CYP1A2 (0.63) CYP1A2CYP2C19RECQLTSHRL3MBTL1
SCHEMBL11380939 0.73 CYP2C19 (0.56) CYP1A2CYP2C19RECQLTSHRL3MBTL1
SCHEMBL11387281 0.72 CYP1A2 (0.61) CYP1A2CYP2C19RECQLTSHRL3MBTL1
Diethylamine SCHEMBL11389041 0.72 CYP1A2 (0.61) CYP1A2CYP2C19RECQLTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
US-20230354865-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2023-11-09 US disclosed
US-11793224-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2023-10-24 US disclosed
US-20230085907-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2023-03-23 US disclosed
US-11533940-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2022-12-27 US disclosed
WO-1996029997-A1 SOFT GELATIN CAPSULE WITH A GELATIN SHELL COMPRISING XANTHINE DERIVATIVE THE PROCTER & GAMBLE COMPANY (US) 1996-10-03 WO disclosed
EP-0165308-B1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME Richardson-Vicks, Inc. (US) 1989-03-22 EP disclosed
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP disclosed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP disclosed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US disclosed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP disclosed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP disclosed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US disclosed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO disclosed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO 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-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ADORA2A 2335/4885PDE4A 3601/4885PDE4B 3149/4885

“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.