SCHEMBL4255031

SCHEMBL4255031

COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]3(O)CCC(=O)O)[C@@H]21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.44
TDP1 Q9NUW8 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AR P10275 10/20 0.37
PGR P06401 4/20 0.37
LMNA P02545 1/20 0.37
PDE4D Q08499 1/20 0.37
CYP19A1 P11511 1/20 0.37
NR3C2 P08235 3/20 0.36
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL4981552 1.00 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4982043 1.00 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4822515 1.00 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818856 0.92 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818843 0.92 NR3C1 (0.43) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4818715 0.89 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL5393545 0.89 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4815685 0.89 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4981558 0.88 NR3C1 (0.44) NR3C1TDP1MEN1KMT2AAR
SCHEMBL4822944 0.87 NR3C1 (0.41) NR3C1TDP1MEN1KMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070129332-A1 Processes to prepare eplerenone PHARMACIA & UPJOHN COMPANY 2007-06-07 US claimed
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate G.D. SEARLE & CO. (US) 2005-12-01 US claimed
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate PHARMACIA CORPORATION (US) 2005-07-21 US claimed
EP-1505072-A2 Eplerenone crystalline form exhiniting enhanced dissolution rate Pharmacia Corporation (US) 2005-02-09 EP claimed
EP-1487859-A2 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN COMPANY (US) 2004-12-22 EP claimed
US-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
WO-2003082895-A2 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN COMPANY (US) 2003-10-09 WO claimed
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate PHARMACIA CORPORATION 2002-03-28 US claimed
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity BARTON KATHLEEN P 2009-06-11 US disclosed
US-7417140-B2 17 beta -Hydroxy-7 alpha -(2'-hydroperoxy-2'-methoxyacetyl)pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone chemical intermediate useful to prepare eplerenone a hypotensive agent, useful for treating congestive heart failure PFIZER INC. (US) 2008-08-26 US disclosed
US-7414127-B2 used to prepare eplerenone; intermediates PFIZER INC. (US) 2008-08-19 US disclosed
EP-1487859-B1 PROCESS TO PREPARE EPLERENONE PHARMACIA & UPJOHN CO LLC (US) 2008-08-13 EP disclosed
US-7411062-B2 17-Beta -hydroxy-7-alpha-(2'-oxoacetyl or alkanoylcarbonyl)-pregna-4,9(11)-dien-3-one-21-carboxylic acid, gamma -lactone; intermediate for preparing eplerenone PFIZER INC. (US) 2008-08-12 US disclosed
EP-1289507-B1 USE OF AN ALDOSTERONE ANTAGONIST FOR THE TREATMENT OR PROPHYLAXIS OF ALDOSTERONE-MEDIATED PATHOGENIC EFFECTS PHARMACIA CORP (US) 2008-02-13 EP disclosed
US-20030083493-A1 Eplerenone drug substance having high phase purity BARTON KATHLEEN P (US) 2003-05-01 US disclosed
US-20030055027-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure G. D. SEARLE & CO. (US) 2003-03-20 US disclosed
US-20020123485-A1 Epoxy steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure PHARMACIA CORPORATION 2002-09-05 US disclosed
US-20020111337-A1 Use of an aldosterone receptor antagonist to improve cognitive function PHARMACIA CORPORATION 2002-08-15 US disclosed
US-20020042405-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure SCHUH JOSEPH R (US) 2002-04-11 US disclosed
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate PHARMACIA CORPORATION 2002-03-28 US 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 (11 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-20020111337-A1 Use of an aldosterone receptor antagonist to improve cognitive function NR3C2, MC2R, AGTR1 NR3C1 8/4885TDP1 2608/4885MEN1 3115/4885
US-20050159594-A1 Eplerenone crystal form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 19/4885TDP1 4507/4885MEN1 1755/4885
US-20050267302-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885TDP1 4447/4885MEN1 1812/4885
US-20020038021-A1 Eplerenone crystalline form exhibiting enhanced dissolution rate NR3C2, MC2R, HSD11B2 NR3C1 20/4885TDP1 4447/4885MEN1 1812/4885
US-20020123485-A1 Epoxy steroidal aldosterone antagonist and beta-adrenergic antagonist combination therapy for treatment of congestive heart failure ADRB2, ADRB1, NR3C2 NR3C1 31/4885TDP1 4865/4885MEN1 2795/4885
US-20030083493-A1 Eplerenone drug substance having high phase purity NR3C2, MC2R, PTGER1 NR3C1 8/4885TDP1 4324/4885MEN1 1415/4885
US-20030055027-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure PTGER1, KCNN4, HCN1 NR3C1 68/4885TDP1 4583/4885MEN1 1738/4885
US-20020042405-A1 Epoxy-steroidal aldosterone antagonist and calcium channel blocker combination therapy for treatment of congestive heart failure KCNN4, NR3C2, EDNRA NR3C1 88/4885TDP1 4882/4885MEN1 1977/4885
US-20090149431-A1 Eplerenone Drug Substance Having High Phase Purity NR3C2, MC2R, PTGER1 NR3C1 8/4885TDP1 4324/4885MEN1 1415/4885
US-20030232981-A1 Contacting a Delta 3,5-3-enol ether of formula (alkyl enol ether) with a hydride abstractor and an alcohol NR3C2, HSD3B2, HSD11B2 NR3C1 19/4885TDP1 4733/4885MEN1 664/4885
US-20070129332-A1 Processes to prepare eplerenone HSD17B7, CYP11B2, CYP4A11 NR3C1 71/4885TDP1 4727/4885MEN1 954/4885

“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.