SCHEMBL39955

SCHEMBL39955

CC(C)(C)OC(=O)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
MEN1 O00255 2/20 0.37

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
Methyl Alcohol SCHEMBL28031919 0.98 TSHR (0.45) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL2310053 0.98 TSHR (0.45) TSHRGABRPGABRDGABRA1GABRB1
Bicarbonate SCHEMBL8301671 0.96 TSHR (0.48) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL3328736 0.96 TSHR (0.43) TSHRGABRPGABRDGABRA1GABRB1
Acetic Acid SCHEMBL25244912 0.94 TSHR (0.47) TSHRGABRPGABRDGABRA1GABRB1
Acetaldehyde SCHEMBL21114617 0.93 HRH3 (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL12964597 0.93 SLC6A1 (0.44) TSHRGABRPGABRDGABRA1GABRB1
Piperidine SCHEMBL1949563 0.93 HRH3 (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1415306 0.90 HRH3 (0.41) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL1034237 0.90 HRH3 (0.41) TSHRGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118580199-A Honokiol derivative with anti-tumor activity and preparation method and application thereof 中国科学院重庆绿色智能技术研究院 2024-09-03 CN claimed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US claimed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 EP claimed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO claimed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP 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
US-7737127-B2 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-15 US claimed
US-7605143-B2 2-propynyl adenosine analogs with modified 5′-ribose groups having A2A agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-10-20 US 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
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis NORTHEASTERN UNIVERSITY 2004-03-18 US 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
WO-2002055512-A1 XANTHENE DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2002-07-18 WO 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 (5 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 TSHR 412/4885GABRP 1503/4885GABRD 1564/4885
US-20050182018-A1 Method to reduce inflammatory response in transplanted tissue ADORA2A, PDE4A, PDE4B TSHR 1392/4885GABRP 1136/4885GABRD 915/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 TSHR 1067/4885GABRP 1015/4885GABRD 1638/4885
US-20030186926-A1 2-propynyl adenosine analogs having A2A agonist activity and compositions thereof ADORA2A, ADORA1, ADORA3 TSHR 256/4885GABRP 673/4885GABRD 1304/4885
US-20040054195-A1 Fluorescent dyes; photostability; labels, staining; analysis ANXA5, XDH, TFEB TSHR 3924/4885GABRP 3626/4885GABRD 4552/4885

“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.