Isobutylmethylxanthine

Isobutylmethylxanthine

SCHEMBL1020643

CC(C)Cn1c(=O)n(C)c(=O)c2nc[nH]c21

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.62
PDE1A P54750 6/20 0.62
PDE1B Q01064 6/20 0.62
PDE1C Q14123 6/20 0.62
PDE4A P27815 3/20 0.62
PDE4B Q07343 3/20 0.62
PDE4C Q08493 3/20 0.62
PDE4D Q08499 3/20 0.62
CFTR P13569 2/20 0.62
PDE5A O76074 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
ADORA1 P30542 1/20 0.62
SCN1A P35498 1/20 0.62
PDE6C P51160 1/20 0.62
PDE3B Q13370 1/20 0.62
PDE7A Q13946 1/20 0.62
PDE3A Q14432 1/20 0.62

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
Theophylline Anhydrous SCHEMBL8312163 0.77 ATAD2 (0.53) PDE2APDE1APDE1BPDE1CPDE4A
Isobutylmethylxanthine SCHEMBL50315 0.77 PDE4A (1.00) PDE2APDE1APDE1BPDE1CPDE4A
Isobutylmethylxanthine SCHEMBL28814716 0.77 PDE4A (1.00) PDE2APDE1APDE1BPDE1CPDE4A
Isobutylmethylxanthine SCHEMBL7637581 0.74 PDE4A (0.94) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL1713619 0.74 ADORA2A (0.45) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL239725 0.73 CFTR (1.00) PDE2APDE1APDE1BPDE1CPDE4A
Isobutylmethylxanthine SCHEMBL4262798 0.73 PDE4A (0.92) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL29015261 0.72 ADORA2A (0.46) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL28814714 0.72 PDE1A (0.49) PDE2APDE1APDE1BPDE1CPDE4A
SCHEMBL13111707 0.72 PDE1A (0.49) PDE2APDE1APDE1BPDE1CPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109988746-A A kind of mescenchymal stem cell adipogenic induction differentiation method 上海葆年生物科技有限公司 2019-07-09 CN claimed
US-20190083455-A1 METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 US claimed
CN-107858327-A Separation, culture and the method for inducing differentiation of the intramuscular Preadipocyte In Vitro of one breeder 河南农业大学 2018-03-30 CN claimed
CN-107858326-A Murine preadipocyte cell 3T3 L1 differentiation-inducing agents and method of inducing differentiation 上海银海圣生物科技有限公司 2018-03-30 CN claimed
CN-107184623-A A kind of preparation method and applications of ardisia japonica alcohol extract 天津中医药大学 2017-09-22 CN claimed
US-20170105964-A1 METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-04-20 US claimed
WO-2015195894-A1 METHODS AND COMPOSITIONS FOR THE MODULATION OF BETA-ENDORPHIN LEVELS THE GENERAL HOSPITAL CORPORATION (US) 2015-12-23 WO claimed
EP-1583541-A2 COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS Neuronova AB (SE) 2005-10-12 EP claimed
US-20050009847-A1 Compounds and methods for increasing neurogenesis NEURONOVA AB (COMPANY REGISTRATION NO. 556703-0118) (SE) 2005-01-13 US claimed
WO-2004045592-A2 COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS NEURONOVA AB (SE) 2004-06-03 WO claimed
US-20250295714-A1 LACTOBACILLUS PARACASEI STRAIN OR LACTOBACILLUS PLANTARUM STRAIN DERIVED FROM HUMAN BODY, HAVING BODY FAT REDUCING ACTIVITY, AND MIXTURE COMPOSITION COMPRISING SAME HECTO HEALTHCARE CO., LTD. (KR) 2025-09-25 US disclosed
CN-117982734-A Breast patch and preparation method thereof 中国人民解放军总医院第一医学中心 2024-05-07 CN disclosed
CN-117805360-A Functional nucleic acid aptamer screening method combining cell screening and functional screening targeting GPCR (GPCR) protein and application 温州医科大学附属眼视光医院 2024-04-02 CN disclosed
CN-117750950-A Composition containing benzyl ethanolamine derivative as active ingredient for preventing or treating metabolic diseases JL生物疗法公司 2024-03-22 CN disclosed
WO-2024029670-A1 LACTOBACILLUS HELVETICUS BCC-LH-04 HAVING BODY FAT REDUCTION ACTIVITY, AND COMPOSITIONS COMPRISING SAME (주)헥토헬스케어 2024-02-08 WO disclosed
WO-2004045592-A2 COMPOUNDS AND METHODS FOR INCREASING NEUROGENESIS NEURONOVA AB (SE) 2004-06-03 WO disclosed
EP-0755255-A4 TREATMENT OF TOXOPLASMOSIS RES CORP TECHNOLOGIES INC (US) 2002-07-24 EP disclosed
US-5773424-A PARASITICIDE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-06-30 US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 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-20250295714-A1 LACTOBACILLUS PARACASEI STRAIN OR LACTOBACILLUS PLANTARUM STRAIN DERIVED FROM HUMAN BODY, HAVING BODY FAT REDUCING ACTIVITY, AND MIXTURE COMPOSITION COMPRISING SAME LPL, LIPC, LCT PDE2A 2016/4885PDE1A 4555/4885PDE1B 4487/4885

“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.