SCHEMBL763374

SCHEMBL763374

COC(=O)C1CCCNC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
SLC6A11 P48066 1/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 1/20 0.59
SLC6A13 Q9NSD5 1/20 0.59
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
ATM Q13315 1/20 0.57
CYP2D6 P10635 1/20 0.57
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA7 P36544 1/20 0.50
NOS2 P35228 1/20 0.47
MAPK1 P28482 1/20 0.40
OPRK1 P41145 1/20 0.40
ALOX15 P16050 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
SCHEMBL13598498 1.00 SLC6A1 (0.59) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL4673135 1.00 SLC6A1 (0.59) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL30493363 0.98 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL21224938 0.98 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL28798276 0.98 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL30493397 0.98 SLC6A1 (0.57) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Benzene SCHEMBL27525396 0.94 SLC6A1 (0.58) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
SCHEMBL4020828 0.94 SLC6A1 (0.52) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Hydrochloric Acid SCHEMBL6380748 0.92 SLC6A1 (0.50) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA
Trifluoroacetic Acid SCHEMBL27732114 0.88 SLC6A1 (0.51) SLC6A1SMN1; SMN2SLC6A11TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118910627-A Method for electrochemically synthesizing methylene quinone compound 西北师范大学 2024-11-08 CN claimed
CN-118109390-A Application of 3-methyl piperidine formate in wound treatment 上海市皮肤病医院 2024-05-31 CN claimed
CN-118078823-A Application of 3-methyl piperidine formate in treating inflammatory dermatosis 上海市皮肤病医院 2024-05-28 CN claimed
CN-114656348-A Improved preparation method of methylene quinone compound 西北师范大学 2022-06-24 CN claimed
CN-109705014-A A kind of novel chiral oxidation amine ligand and preparation method thereof 南开大学 2019-05-03 CN claimed
CN-106986789-A Hydroquinone compound and preparation method thereof and the application in antitumor or immunological regulation 中国人民解放军军事医学科学院生物医学分析中心 2017-07-28 CN claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
EP-1778712-B1 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY Univ Virginia Patent Found (US) 2013-01-30 EP claimed
US-8188063-B2 A2A receptor agonists for the central nervous system; antiinflammatory agents; 2,7-disubstituted-5-amino-pyrazolo[4,3-e]-[1,2,4]-triazolo[1,5-c]pyrimidines, mefloquine, 8-(3-chlorostyryl)caffeine, 3,7,8-trisubstituted-1-propargyl-xanthines; 2,5-disubstituted-7-amino-[1,2,4]triazolo[1,5-a][1,3,5]triazines UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-29 US claimed
US-8178509-B2 Method to treat sickle cell disease UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2012-05-15 US claimed
WO-2006015357-A2 2-PROPYNYL ADENOSINE ANALOGS WITH MODIFIED 5'-RIBOSE GROUPS HAVING A2A AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2006-02-09 WO claimed
US-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-24 US claimed
WO-2005107463-A1 AGONISTS OF A2A ADENOSINE RECEPTORS FOR TREATMENT OF DIABETIC NEPHROPATHY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-11-17 WO claimed
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-08-18 US claimed
EP-1496911-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-01-19 EP claimed
EP-1434782-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF University of Virginia Patent Foundation (US) 2004-07-07 EP claimed
WO-2003086408-A1 USE OF A2A ADENOSINE RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-10-23 WO claimed
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-10-02 US claimed
WO-2003029264-A2 2-PROPYNYL ADENOSINE ANALOGS HAVING A2A AGONIST ACTIVITY AND COMPOSITIONS THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-04-10 WO claimed
US-5010077-A Tranquilizers A/S FERROSAN (DK) 1991-04-23 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 (3 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-20050261236-A1 Agonists of A2A adenosine receptors for treatment of diabetic nephropathy ADORA2A, ADORA3, PDE4A SLC6A1 2771/4885SMN1; SMN2 3724/4885SLC6A11 2584/4885
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue ADORA2A, PDE4A, PDE4B SLC6A1 2841/4885SMN1; SMN2 3909/4885SLC6A11 3044/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 SLC6A1 1997/4885SMN1; SMN2 3514/4885SLC6A11 2803/4885

“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.