SCHEMBL515911

SCHEMBL515911

Cn1c(=O)c2c(ncn2-c2ccccc2)n(C)c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.61
RXFP1 Q9HBX9 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
ADORA2A P29274 2/20 0.60
PIK3CD O00329 1/20 0.60
POLB P06746 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
CNR1 P21554 1/20 0.60
ACHE P22303 1/20 0.60
ADORA1 P30542 1/20 0.60
NTSR1 P30989 1/20 0.60
MC3R P41968 1/20 0.60
NOTUM Q6P988 1/20 0.60
SIRT3 Q9NTG7 1/20 0.60
GDA Q9Y2T3 1/20 0.60
NR2E1 Q9Y466 1/20 0.60
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.57
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53

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
SCHEMBL27582932 0.88 MAPK1 (0.56) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL9662759 0.80 ADORA2B (0.61) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL5719318 0.79 P2RX7 (0.60) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL5719031 0.79 ADORA2B (0.54) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
Caffeine SCHEMBL10638955 0.77 ADORA2B (0.73) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL5718827 0.77 L3MBTL1 (0.58) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL8598384 0.77 ADORA2B (0.51) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
Caffeine SCHEMBL28605141 0.76 ADORA2B (0.71) ADORA2BRXFP1SMN1; SMN2ADORA2APIK3CD
SCHEMBL1944405 0.76 ADORA2B (1.00) ADORA2BRXFP1SMN1; SMN2POLBALDH1A1
Caffeine SCHEMBL8569482 0.75 ADORA2B (1.00) ADORA2BADORA2APIK3CDPOLBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322206-A2 Compositions and methods for improving cold tolerance in animals and humans HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 1989-06-28 EP claimed
US-12595269-B2 Morpholine-like monoamine releasers Solvonis Therapeutics Ireland Holdings Limited (IE) 2026-04-07 US disclosed
US-12590077-B2 Short-acting monoamine releasers Solvonics Therapeutics Ireland Holdings Limited (IE) 2026-03-31 US disclosed
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-20250179089-A1 BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2025-06-05 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-20250100990-A1 1,3-BENZODIOXOLE ESTERS AND THEIR THERAPEUTIC USE AWAKN LS EUROPE HOLDINGS LIMITED (IE) 2025-03-27 US disclosed
EP-4479404-A1 BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS Awakn Ls Europe Holdings Limited (IE) 2024-12-25 EP disclosed
US-6413558-B1 MIXTURE OF MONOSACCHARIDES, DISACCHARIDES AND MALTODEXTRIN THE PROCTOR & GAMBLE CO. 2002-07-02 US disclosed
EP-1196050-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2002-04-17 EP disclosed
WO-2002026055-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND DEFINED VITAMINS THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2002026053-A2 BEVERAGE COMPOSITIONS COMPRISING ARABINOGALACTAN AND MINERAL SUPPLEMENT THE PROCTER & GAMBLE COMPANY (US) 2002-04-04 WO disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093832-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED DOSAGE REQUIREMENTS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093833-A2 KITS AND METHODS FOR OPTIMIZING THE EFFICACY OF CHONDROPROTECTIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093701-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED PH LIMITATIONS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 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 (5 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-20250100990-A1 1,3-BENZODIOXOLE ESTERS AND THEIR THERAPEUTIC USE DBH, TSPO, DDO ADORA2B 1230/4885RXFP1 2481/4885SMN1; SMN2 580/4885
US-12590077-B2 Short-acting monoamine releasers SLC6A2, NPY2R, SLC6A3 ADORA2B 747/4885RXFP1 2382/4885SMN1; SMN2 245/4885
US-12595269-B2 Morpholine-like monoamine releasers HTR3B, HTR3D, SLC6A3 ADORA2B 663/4885RXFP1 613/4885SMN1; SMN2 609/4885
US-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 ADORA2B 1369/4885RXFP1 816/4885SMN1; SMN2 1542/4885
US-20250179089-A1 BRIDGED RING COMPOUNDS AND THEIR THERAPEUTIC USE AS CNS AGENTS PNMT, SLC18A2, HTR2C ADORA2B 494/4885RXFP1 2492/4885SMN1; SMN2 639/4885

“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.