SCHEMBL3776312

SCHEMBL3776312

CCC(O)(O)n1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.55
POLB P06746 2/20 0.55
PIK3CD O00329 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CNR1 P21554 1/20 0.55
ACHE P22303 1/20 0.55
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
NTSR1 P30989 1/20 0.55
MC3R P41968 1/20 0.55
NOTUM Q6P988 1/20 0.55
SIRT3 Q9NTG7 1/20 0.55
GDA Q9Y2T3 1/20 0.55
NR2E1 Q9Y466 1/20 0.55
LMNA P02545 3/20 0.55
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
KMT2A Q03164 1/20 0.48

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
SCHEMBL11227138 0.83 ADORA2B (0.60) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL21363487 0.80 ADORA2B (0.64) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL22398942 0.78 ADORA2B (0.62) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL1065297 0.78 ADORA2B (0.57) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL10112858 0.77 ADORA2B (0.52) ADORA2BPOLBPIK3CDADORA3CNR1
Caffeine SCHEMBL23420342 0.75 ADORA2B (0.83) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL17626243 0.74 SMN1; SMN2 (0.56) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL516014 0.73 ADORA2B (0.72) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL16120984 0.73 ADORA2B (0.81) ADORA2BPOLBPIK3CDADORA3CNR1
SCHEMBL19969106 0.72 ADORA2B (0.50) ADORA2BPOLBPIK3CDADORA3CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120064547-A Method for detecting dihydroxypropehylline injection 上海信谊金朱药业有限公司 2025-05-30 CN claimed
CN-120064407-A PH sensing method for realizing electrochemical calibration-free based on dynamic current technology 常州江苏大学工程技术研究院 2025-05-30 CN claimed
CN-119868268-A Dihydroxypropyl theophylline injection and preparation method thereof 江西科为制药有限公司 2025-04-25 CN claimed
CN-119246866-A Total bilirubin dry detection and analysis assembly and preparation method thereof 英科新创(厦门)科技股份有限公司 2025-01-03 CN claimed
CN-115850278-B Novel crystal form solid substance of dihydroxypropehylline, preparation method thereof, injection and preparation method thereof 广州合和医药有限公司 2024-06-07 CN claimed
CN-118087049-A Texturing additive for preparing low-reflection solar cell and application thereof 常州时创能源股份有限公司 2024-05-28 CN claimed
CN-117999073-A Use of nadolol to treat chronic obstructive pulmonary disease by blocking the inhibitor protein-2 pathway 慢性呼吸道治疗有限公司 2024-05-07 CN claimed
CN-117946812-A Cleaning composition 安集微电子科技(上海)股份有限公司 2024-04-30 CN claimed
CN-114019076-B Method for simultaneously measuring 5 components in compound hyprolfsteaine dechlorinated hydroxyzine capsules 苏州市药品检验检测研究中心 2024-04-09 CN claimed
CN-116693735-A Use of olefin functional polymer as compatibility modifier 江苏扬农化工集团有限公司 2023-09-05 CN claimed
WO-2021217574-A1 TREATMENT OR PREVENTION OF CORONAVIRIDAE INFECTION WATERSTONE PHARMACEUTICALS (WUHAN) CO., LTD. (CN) 2021-11-04 WO claimed
US-20040110694-A1 Novel solid pharmaceutical dispersions GHEBRE-SELLASSIE ISAAC (US) 2004-06-10 US claimed
CN-1120841-C Medicine composition and use thereof BOEHRINGER INGELHEIM KG (DE) 2003-09-10 CN claimed
US-20010044409-A1 Novel solid pharmaceutical dispersions GHEBRE-SELLASSIE ISAAC (US) 2001-11-22 US claimed
CN-1191535-A Novel pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM KG (DE) 1998-08-26 CN claimed
EP-0617612-B1 A PROCESS FOR THE PREPARATION OF A SOLID DISPERSION WARNER LAMBERT CO (US) 1997-09-10 EP claimed
EP-0617612-A1 A PROCESS FOR THE PREPARATION OF A SOLID DISPERSION. WARNER LAMBERT CO (US) 1994-10-05 EP claimed
WO-1993011749-A1 A PROCESS FOR THE PREPARATION OF A SOLID DISPERSION WARNER-LAMBERT COMPANY (US) 1993-06-24 WO claimed
EP-0073302-B1 PROCESS FOR THE PREPARATION OF DIHYDROXYPROPYLTHEOPHYLLINE Degussa Aktiengesellschaft (DE) 1985-05-22 EP claimed
US-4405783-A Process for the production of dihydroxypropyltheophylline DEGUSSA AKTIENGESELLSCHAFT (DE) 1983-09-20 US 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 (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-20010044409-A1 Novel solid pharmaceutical dispersions RPS27A, FUS, ABCG2 ADORA2B 4225/4885POLB 3308/4885PIK3CD 3117/4885

“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.