SCHEMBL4124934

SCHEMBL4124934

CCCn1c(=O)n(CC(C)O)c(=O)c2[nH]c(C34CC5C[C@H]3C[C@H](C4)[C@@H]5O)nc21

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 9/20 0.63
ADORA2A P29274 8/20 0.63
ADORA2B P29275 5/20 0.63
ADORA3 P0DMS8 4/20 0.63
SLC6A3 Q01959 1/20 0.63
SLC22A6 Q4U2R8 1/20 0.63
SLC22A8 Q8TCC7 1/20 0.63
SLC22A11 Q9NSA0 1/20 0.63
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL8710367 1.00 ADORA1 (0.63) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL3263501 0.91 ADORA1 (0.74) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL4133072 0.91 ADORA1 (0.74) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL4451881 0.91 ADORA1 (0.74) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL4144916 0.91 ADORA1 (0.74) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL8704620 0.89 ADORA1 (0.81) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL8706048 0.87 ADORA1 (0.59) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL8709754 0.86 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL4131261 0.86 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3SLC6A3
SCHEMBL8706053 0.86 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253665-A1 METHOD OF TREATMENT OF DISEASE USING AN ADENOSINE A1 RECEPTOR ANTAGONIST AND AN ALDOSTERONE INHIBITOR OTSUKI LAUREN 2009-10-08 US claimed
EP-2087888-A1 Adenosine a1 receptor antagonists for the treatment of alkalosis Novacardia, Inc. (US) 2009-08-12 EP claimed
US-20070238672-A1 CO-ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS AND ANTICONVULSANTS NOVACARDIA, INC. 2007-10-11 US claimed
US-20050239759-A1 Method of treatment of disease using an adenosine A1 receptor antagonist and an aldosterone inhibitor NOVACARDIA, INC. 2005-10-27 US claimed
US-20040229901-A1 Method of treatment of disease using an adenosine A1 receptor antagonist NOVACARDIA, INC. 2004-11-18 US claimed
EP-0619316-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP claimed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 EP claimed
US-20090253665-A1 METHOD OF TREATMENT OF DISEASE USING AN ADENOSINE A1 RECEPTOR ANTAGONIST AND AN ALDOSTERONE INHIBITOR OTSUKI LAUREN 2009-10-08 US disclosed
US-7579331-B2 Method of improved diuresis in individuals with impaired renal function NOVACARDIA, INC. (US) 2009-08-25 US disclosed
EP-2087888-A1 Adenosine a1 receptor antagonists for the treatment of alkalosis Novacardia, Inc. (US) 2009-08-12 EP disclosed
US-20090197900-A1 METHODS OF TREATING HEART FAILURE AND RENAL DYSFUNCTION IN INDIVIDUALS WITH AN ADENOSINE A1 RECEPTOR ANTAGONIST DITTRICH HOWARD 2009-08-06 US disclosed
US-20080242684-A1 METHODS OF ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS NOVACARDIA, INC. 2008-10-02 US disclosed
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER MUGERDITICHIAN MARK 2008-03-20 US disclosed
US-20060035911-A1 Method of improved diuresis in individuals with impaired renal function WIDDER KENNETH J 2006-02-16 US disclosed
US-20060030572-A1 Method of improved diuresis in individuals with impaired renal function WIDDER KENNETH J 2006-02-09 US disclosed
US-20050004145-A1 Method of improved diuresis in individuals with impaired renal function NOVACARDIA, INC. 2005-01-06 US disclosed
US-20040229901-A1 Method of treatment of disease using an adenosine A1 receptor antagonist NOVACARDIA, INC. 2004-11-18 US disclosed
EP-0619316-B1 Xanthine derivatives KYOWA HAKKO KOGYO KK (JP) 1998-08-12 EP disclosed
EP-0711772-A1 PROCESS FOR PRODUCING XANTHINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-05-15 EP disclosed
EP-0619316-A1 Xanthine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-10-12 EP 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 (10 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-20040229901-A1 Method of treatment of disease using an adenosine A1 receptor antagonist ADORA1, AGTR1, ADORA2A ADORA1 1/4885ADORA2A 3/4885ADORA2B 4/4885
US-20080242684-A1 METHODS OF ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 4/4885
US-20050004145-A1 Method of improved diuresis in individuals with impaired renal function REN, ADORA2A, ATP6V1B1 ADORA1 9/4885ADORA2A 2/4885ADORA2B 11/4885
US-20080070934-A1 KW-3902 CONJUGATES THAT DO NOT CROSS THE BLOOD-BRAIN BARRIER DCX, FLT4, KDR ADORA1 637/4885ADORA2A 98/4885ADORA2B 302/4885
US-20070238672-A1 CO-ADMINISTRATION OF ADENOSINE A1 RECEPTOR ANTAGONISTS AND ANTICONVULSANTS ADORA1, ADORA2A, ADORA3 ADORA1 1/4885ADORA2A 2/4885ADORA2B 4/4885
US-20090197900-A1 METHODS OF TREATING HEART FAILURE AND RENAL DYSFUNCTION IN INDIVIDUALS WITH AN ADENOSINE A1 RECEPTOR ANTAGONIST ADORA1, NPPA, ADORA2A ADORA1 1/4885ADORA2A 3/4885ADORA2B 6/4885
US-20060030572-A1 Method of improved diuresis in individuals with impaired renal function REN, ADORA2A, ATP6V1B1 ADORA1 9/4885ADORA2A 2/4885ADORA2B 11/4885
US-20050239759-A1 Method of treatment of disease using an adenosine A1 receptor antagonist and an aldosterone inhibitor ADORA1, ADORA2A, ADRA1A ADORA1 1/4885ADORA2A 2/4885ADORA2B 5/4885
US-20090253665-A1 METHOD OF TREATMENT OF DISEASE USING AN ADENOSINE A1 RECEPTOR ANTAGONIST AND AN ALDOSTERONE INHIBITOR ADORA1, ADORA2A, ADRA1A ADORA1 1/4885ADORA2A 2/4885ADORA2B 5/4885
US-20060035911-A1 Method of improved diuresis in individuals with impaired renal function REN, ADORA2A, ATP6V1B1 ADORA1 9/4885ADORA2A 2/4885ADORA2B 11/4885

“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.