Isocaffiene

Isocaffiene

SCHEMBL515995

Cn1c(=O)c2ncn(C)c2n(C)c1=O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ADORA2A P29274 3/20 0.52
POLB P06746 2/20 0.52
PIK3CD O00329 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CNR1 P21554 1/20 0.52
ACHE P22303 1/20 0.52
ADORA2B P29275 1/20 0.52
ADORA1 P30542 1/20 0.52
NTSR1 P30989 1/20 0.52
MC3R P41968 1/20 0.52
NOTUM Q6P988 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
GDA Q9Y2T3 1/20 0.52
NR2E1 Q9Y466 1/20 0.52
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.41
HTT P42858 3/20 0.40
PDE4A P27815 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
SCHEMBL28048679 0.81 LMNA (0.54) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL8136340 0.81 LMNA (0.54) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL3272841 0.81 LMNA (0.54) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL15086862 0.80 LMNA (0.40) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL1962417 0.79 LMNA (0.69) LMNAADORA2APOLBADORA2BALDH1A1
SCHEMBL23974893 0.79 LMNA (0.46) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL23974902 0.79 LMNA (0.39) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL23974906 0.79 LMNA (0.42) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL23974579 0.77 LMNA (0.50) LMNAADORA2APOLBPIK3CDADORA3
SCHEMBL17682185 0.77 LMNA (0.50) LMNAADORA2APOLBPIK3CDADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108387652-B Method for detecting impurities in compound paracetamol diphenhydramine tablets 四川省食品药品检验检测院 2021-03-02 CN claimed
EP-2369939-B1 FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES UNILEVER PLC (GB) 2015-02-18 EP claimed
US-20110318474-A1 FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES CONOPCO, INC., D/B/A UNILEVER 2011-12-29 US claimed
CN-102264235-A Food product fortified with methylxanthines 2011-11-30 CN claimed
EP-2369939-A2 FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES Unilever PLC (GB) 2011-10-05 EP claimed
US-20100203001-A1 PROCESS FOR FORMING DISULFIDE BRIDGES APLAGEN GMBH (DE) 2010-08-12 US claimed
WO-2010076112-A2 FOOD PRODUCTS ENRICHED WITH METHYLXANTHINES UNILEVER PLC (GB) 2010-07-08 WO claimed
US-20090081145-A1 PROCESS FOR FORMING DISULPHIDE BRIDGES APLAGEN GMBH (DE) 2009-03-26 US claimed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 US claimed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 US claimed
US-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium TRIER KLAUS (DK) 2004-01-22 US claimed
EP-1305328-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES Lyles, Mark B. (US) 2003-05-02 EP claimed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 US claimed
WO-2002008237-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES LYLES MARK B (US) 2002-01-31 WO claimed
WO-1998030900-A2 SCREENING METHOD FOR COMPOUNDS ACTIVE IN TREATING MYOPIA AND HYPERMETROPIA KLAUS TRIER APS (DK) 1998-07-16 WO claimed
US-5399688-A Caffeine recovery from activated carbon JACOBS SUCHARD AG (CH) 1995-03-21 US claimed
EP-0583498-A1 Improved caffeine recovery from activated carbon Jacobs Suchard AG (CH) 1994-02-23 EP claimed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
EP-0583498-A1 Improved caffeine recovery from activated carbon Jacobs Suchard AG (CH) 1994-02-23 EP disclosed
US-4883801-A Xanthine derivative pest control agents THE GENERAL HOSPITAL CORPORATION (US) 1989-11-28 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 (4 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-20040013609-A1 For identification of substances for treatment or prevention of insufficient longitudinal growth of eye(hypermetropia) or excessive longitudinal growth of eye(myopia); involves measurement of effect on retinal pigment epithelium RYR1, ATP2A2, ATP2A1 LMNA 824/4885ADORA2A 414/4885POLB 3981/4885
US-20090081145-A1 PROCESS FOR FORMING DISULPHIDE BRIDGES SPR, P4HB, SCLY LMNA 4485/4885ADORA2A 3142/4885POLB 4066/4885
US-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 LMNA 3024/4885ADORA2A 2335/4885POLB 4333/4885
US-20100203001-A1 PROCESS FOR FORMING DISULFIDE BRIDGES SCLY, P4HB, CBS LMNA 4434/4885ADORA2A 2806/4885POLB 4066/4885

“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.