SCHEMBL474980

SCHEMBL474980

C[C@@]12CCC[C@@H]1[C@@H]1CCC3CCCC[C@]3(C)[C@H]1CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.64
CDK5R1 Q15078 1/20 0.64
NR1I3 Q14994 1/20 0.64
CYP19A1 P11511 3/20 0.56
GRIN1 Q05586 7/20 0.54
GRIN2B Q13224 7/20 0.54
MBOAT4 Q96T53 2/20 0.46
EPHA2 P29317 2/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
EFNA1 P20827 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
GPBAR1 Q8TDU6 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL317924 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL4998837 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL157802 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL30331615 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL157803 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL24451237 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL4998832 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL10343473 1.00 CDK5 (0.64) CDK5CDK5R1NR1I3CYP19A1GRIN1
SCHEMBL11241858 0.98 CDK5 (0.62) CDK5CDK5R1NR1I3CYP19A1GRIN1
Hydrochloric Acid SCHEMBL1591866 0.98 CDK5 (0.62) CDK5CDK5R1NR1I3CYP19A1GRIN1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9868757-B2 5-β, 14-β-androstane derivatives useful for the treatment of proteinuria, glomerulosclerosis and renal failure SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2018-01-16 US disclosed
US-20160251392-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure SEISMIC PHARMACEUTICALS OPERATIONS LLC 2016-09-01 US disclosed
EP-2411015-B1 5-BETA, 14-BETA-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEINURIA, GLOMERULOSCLEROSIS AND RENAL FAILURE SIGMA TAU IND FARMACEUTI (IT) 2015-12-23 EP disclosed
CN-102361643-A 5-beta, 14-beta-androstane derivatives useful for the treatment of proteinuria, glomerulosclerosis and renal failure SIGMA TAU IND FARMACEUTI 2012-02-22 CN disclosed
US-20120028945-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-02-02 US disclosed
EP-2411015-A1 5- , 14- -ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEINURIA, GLOMERULOSCLEROSIS AND RENAL FAILURE SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2012-02-01 EP disclosed
WO-2010108855-A1 5-β, 14-β-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF PROTEINURIA, GLOMERULOSCLEROSIS AND RENAL FAILURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-09-30 WO disclosed
EP-0659761-B1 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1998-04-22 EP disclosed
EP-0659761-A3 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same. SIGMA TAU IND FARMACEUTI (IT) 1995-12-13 EP disclosed
EP-0659761-A2 New 17-iminomethylalkenyl-5beta-14beta-androstane and 17-iminoalkyl-5beta-14beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1995-06-28 EP disclosed
EP-0583606-A3 New hydrazono-5-beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same. SIGMA TAU IND FARMACEUTI (IT) 1995-04-05 EP disclosed
EP-0583606-A2 New hydrazono-5-beta-androstane derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-02-23 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 (2 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-20120028945-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure NR5A1, SRD5A2, SHBG CDK5 68/4885CDK5R1 133/4885NR1I3 169/4885
US-20160251392-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure NR5A1, SRD5A2, SHBG CDK5 68/4885CDK5R1 133/4885NR1I3 169/4885

“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.