SCHEMBL356160

SCHEMBL356160

Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 1.00
TNF P01375 4/20 0.64
ACHE P22303 2/20 0.64
USP2 O75604 1/20 0.64
LMNA P02545 1/20 0.64
CYP1A2 P05177 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
PDE4A P27815 1/20 0.64
PMP22 Q01453 1/20 0.64
PDE4B Q07343 1/20 0.64
PDE4C Q08493 1/20 0.64
PDE4D Q08499 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
GLA P06280 1/20 0.62
BLM P54132 1/20 0.62
PIK3CD O00329 1/20 0.59
POLB P06746 1/20 0.59
ADORA3 P0DMS8 1/20 0.59

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
Guanidine SCHEMBL8402439 0.93 ADORA2B (0.87) ADORA2BTNFACHEUSP2LMNA
Trolamine SCHEMBL9792228 0.90 ADORA2B (0.81) ADORA2BTNFACHEUSP2LMNA
SCHEMBL20863739 0.88 ADORA2B (1.00) ADORA2BTNFACHEUSP2LMNA
SCHEMBL2830735 0.88 ADORA2B (0.79) ADORA2BTNFACHEUSP2LMNA
SCHEMBL6861215 0.87 ADORA2B (0.77) ADORA2BTNFACHEUSP2LMNA
SCHEMBL8570022 0.87 ADORA2B (0.77) ADORA2BTNFACHEUSP2LMNA
SCHEMBL10407732 0.86 ADORA2B (0.75) ADORA2BTNFACHEUSP2LMNA
SCHEMBL10407724 0.86 ADORA2B (0.75) ADORA2BTNFACHEUSP2LMNA
SCHEMBL10407485 0.86 ADORA2B (0.75) ADORA2BTNFACHEUSP2LMNA
SCHEMBL4316404 0.86 ADORA2B (0.75) ADORA2BTNFACHEUSP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028594-A Emotitabine medicinal precursor compound and preparation method and medical application thereof 吴卫东 2022-09-09 CN claimed
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
CN-114621156-A Entifovir pharmaceutical precursor compound, preparation method and medical application thereof 吴卫东 2022-06-14 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-8506935-B2 Respiratory drug condensation aerosols and methods of making and using them ALEXZA PHARMACEUTICALS, INC. (US) 2013-08-13 US claimed
US-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them ALEXZA PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
US-7550133-B2 Respiratory drug condensation aerosols and methods of making and using them ALEXZA PHARMACEUTICALS, INC. (US) 2009-06-23 US claimed
US-20040105819-A1 comprise respiratory drug condensation aerosol particles; selected from the group consisting of beta -adrenergics, methylxanthines, anticholinergics, corticosteroids, mediator-release inhibitors, anti-leukotriene drugs, asthma inhibitors etc ALEXZA MOLECULAR DELIVERY CORPORATION (US) 2004-06-03 US claimed
CN-1294519-A Pharmaceutical composition containing a compound having an activity of promoting the absorption of an active ingredient INPHARMA SA (CH) 2001-05-09 CN claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO 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
EP-0191624-A2 Gold-purine antitumor agents ENGELHARD CORPORATION (US) 1986-08-20 EP claimed
EP-0051278-A1 Soft tertiary amine esters of bio-affecting carboxylic acids, processes for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-05-12 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090258075-A1 Respiratory Drug Condensation Aerosols and Methods of Making and Using Them LTC4S, PTGER1, PTGES ADORA2B 290/4885TNF 374/4885ACHE 159/4885
US-20040105819-A1 comprise respiratory drug condensation aerosol particles; selected from the group consisting of beta -adrenergics, methylxanthines, anticholinergics, corticosteroids, mediator-release inhibitors, anti-leukotriene drugs, asthma inhibitors etc LTC4S, PTGER1, PTGER4 ADORA2B 165/4885TNF 565/4885ACHE 73/4885

“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.