SCHEMBL2830735

SCHEMBL2830735

Cn1c(=O)c2c(ncn2C)n(CC(=O)O)c1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.79
PDE4A P27815 5/20 0.67
PDE4B Q07343 5/20 0.67
PDE4C Q08493 5/20 0.67
PDE4D Q08499 5/20 0.67
ADORA2A P29274 4/20 0.67
ACHE P22303 2/20 0.59
PIK3CD O00329 1/20 0.59
POLB P06746 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CNR1 P21554 1/20 0.59
ADORA1 P30542 1/20 0.59
NTSR1 P30989 1/20 0.59
MC3R P41968 1/20 0.59
NOTUM Q6P988 1/20 0.59
SIRT3 Q9NTG7 1/20 0.59
GDA Q9Y2T3 1/20 0.59
NR2E1 Q9Y466 1/20 0.59
CYP1A2 P05177 2/20 0.54
PMP22 Q01453 2/20 0.54

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
Trolamine SCHEMBL9792223 0.90 ADORA2B (0.65) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL356160 0.88 ADORA2B (1.00) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10407483 0.86 PDE4A (0.63) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10407721 0.86 PDE4A (0.63) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10407729 0.86 PDE4A (0.63) ADORA2BPDE4APDE4BPDE4CPDE4D
Zinc Ion SCHEMBL10408405 0.86 PDE4A (0.63) ADORA2BPDE4APDE4BPDE4CPDE4D
Guanidine SCHEMBL8402439 0.82 ADORA2B (0.87) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL8861588 0.82 PDE4A (0.75) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL16697212 0.81 ADORA2A (0.79) ADORA2BPDE4APDE4BPDE4CPDE4D
Caffeine SCHEMBL4730632 0.81 ADORA2B (0.76) ADORA2BPDE4APDE4BPDE4CPDE4D

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
CN-111110590-B Agar oligosaccharide composition for balancing scalp grease secretion, preparation method and application 厦门传茗生物科技有限公司 2022-06-28 CN claimed
WO-2021048794-A1 EMULSIFIABLE CAFFEINE CARBOXYLATE CONCENTRATES SUMINISTROS DE COLOMBIA S.A.S. - SUMICOL (CO) 2021-03-18 WO claimed
CN-111110590-A Agar oligosaccharide composition for balancing scalp grease secretion, preparation method and application 蓝脑科技(厦门)有限公司 2020-05-08 CN claimed
CN-105579020-B Formulations comprising sphingosine 赢创德固赛有限公司 2020-01-07 CN claimed
CN-109589298-A A kind of artemia eggs ghost dispersion liquid and its preparation process and application 水母娘娘海洋生物科技有限公司 2019-04-09 CN claimed
EP-2170259-B1 SLIMMING COMPOSITION BASF BEAUTY CARE SOLUTIONS FRANCE SAS (FR) 2018-09-05 EP claimed
US-9962329-B2 Cosmetic use of the combination of a carob germ extract and caffeine as a slimming active agent ISP Investments, LLC (US) 2018-05-08 US claimed
US-9913789-B2 Formulations containing sphinganine EVONIK DEGUSSA GMBH (DE) 2018-03-13 US claimed
US-20160184204-A1 FORMULATIONS CONTAINING SPHINGANINE EVONIK DEGUSSA GMBH (DE) 2016-06-30 US claimed
CN-105579020-A Formulations containing sphinganine EVONIK DEGUSSA GMBH 2016-05-11 CN claimed
CN-103724348-A Method for preparing theobromine JILIN SHULAN SYNTHETIC PHARMACEUTICAL CO LTD 2014-04-16 CN claimed
US-5030451-A Micronizing binder support into scales, micronizing active principle particles, mixing, wetting agent, agglomeration, drying, screening, hydroalcoholic gel PIERRE FABRE S.A. (FR) 1991-07-09 US claimed
JP-3170430-A None JP disclosed
WO-2025119790-A1 COMPOSITION COMPRISING CERAMIDE AND TRIGLYCERIDE EVONIK OPERATIONS GMBH (DE) 2025-06-12 WO disclosed
CN-119490761-A Natural material-based Janus particles and preparation method thereof 清华大学 2025-02-21 CN disclosed
WO-2025035956-A1 NATURAL MATERIAL-BASED JANUS PARTICLES AND PREPARATION METHOD THEREFOR 清华大学 2025-02-20 WO disclosed
US-5030451-A Micronizing binder support into scales, micronizing active principle particles, mixing, wetting agent, agglomeration, drying, screening, hydroalcoholic gel PIERRE FABRE S.A. (FR) 1991-07-09 US disclosed
US-4938962-A Heterogeneous topical compositions having a base of microgranules of caffeine and/or its derivatives, which can be used as slenderizer and/or in the treatment of cellulitis, as well as their preparation PIERRE FABRE COSMETIQUE (FR) 1990-07-03 US disclosed
EP-0323294-A1 Heterogeneous topical composition with a slimming and/or anti-cellulitis activity, containing a salt of caffeine-carboxylic-acid microgranules, and their preparation PIERRE FABRE COSMETIQUE (FR) 1989-07-05 EP disclosed
EP-0323294-A1 Heterogeneous topical composition with a slimming and/or anti-cellulitis activity, containing a salt of caffeine-carboxylic-acid microgranules, and their preparation PIERRE FABRE COSMETIQUE (FR) 1989-07-05 EP disclosed