SCHEMBL475054

SCHEMBL475054

[NH]CC(O)CN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ATM Q13315 2/20 0.62
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.41
NLRP1 Q9C000 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL2969635 0.98 MEN1 (0.73) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL10895166 0.84 MEN1 (0.94) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL11118757 0.81 MEN1 (1.00) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL2978112 0.79 USP2 (0.75) MEN1KMT2AATMHSD17B10USP2
SCHEMBL16625789 0.77 MEN1 (0.90) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL10477 0.77 ATM (1.00) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL4382059 0.77 ATM (1.00) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL4381896 0.77 ATM (1.00) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL64167 0.75 ATM (0.95) MEN1KMT2AATMMAPTHSD17B10
SCHEMBL19090254 0.75 KMT2A (0.68) MEN1KMT2AATMMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060700-B2 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2006-06-13 US claimed
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB 2003-06-05 US claimed
US-6432949-B1 Amide derivatives useful as inhibitors of the production of cytokines ASTRAZENECA AB (SE) 2002-08-13 US claimed
EP-1102750-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES AstraZeneca AB (SE) 2001-05-30 EP claimed
WO-2000007991-A1 AMIDE DERIVATIVES USEFUL AS INHIBITORS OF THE PRODUCTION OF CYTOKINES ASTRAZENECA AB (SE) 2000-02-17 WO claimed
EP-0590271-B1 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same SIGMA TAU IND FARMACEUTI (IT) 1996-11-27 EP claimed
US-5444082-A Treats hypertension and heart failure SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1995-08-22 US claimed
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-2160190-B1 5BETA, 14BETA-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES DUE TO ORGAN FIBROSIS SIGMA TAU IND FARMACEUTI (IT) 2015-11-04 EP 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
US-20100303896-A1 5BETA, 14BETA-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF RESTENOSIS AFTER ANGIOPLASTIC OR ENDOARTHERECTOMY AND DISEASES DUE TO ORGAN FIBROSIS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-12-02 US disclosed
US-5432169-A Cyclopentanperhydrophenanthren-17β-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1995-07-11 US disclosed
EP-0590271-A2 17-Aryl and 17-heterocyclyl-14beta-5alpha-androstane, androstene and androstadiene derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP disclosed
EP-0590489-A2 New cyclopentanperhydrophenanthren-17beta-(hydroxy or alkoxy)-17alpha-(aryl or heterocyclyl)-3beta-derivatives active on the cardiovascular system, processes for their preparation and pharmaceutical compositions containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-04-06 EP disclosed
EP-0583578-A2 17-(3-Furyl) and 17-(4-pyridazinyl)-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) 1994-02-23 EP disclosed
EP-0578080-A2 3,9-disubstituted-spiro (5.5)undecanes active on the cardiovascular system, process for their preparation and pharmaceutical composition containing same Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-12 EP disclosed
EP-0576913-A2 Digitoxigenin and dihydrodigitoxigenin 3beta-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-05 EP disclosed
EP-0576915-A2 cyclopentanperhydrophenanthren-17beta-(3-furyl)-3-derivatives and pharmaceutical compositions comprising same for the treatment of cardiovascular disorders Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1994-01-05 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 (4 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-20100303896-A1 5BETA, 14BETA-ANDROSTANE DERIVATIVES USEFUL FOR THE TREATMENT OF RESTENOSIS AFTER ANGIOPLASTIC OR ENDOARTHERECTOMY AND DISEASES DUE TO ORGAN FIBROSIS CYP17A1, NR5A1, HSD17B11 MEN1 2216/4885KMT2A 3169/4885ATM 2276/4885
US-20120028945-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure NR5A1, SRD5A2, SHBG MEN1 3099/4885KMT2A 4413/4885ATM 4065/4885
US-20030105142-A1 Amide derivatives useful as inhibitors of the production of cytokines IL6, IL6ST, IL2 MEN1 3813/4885KMT2A 3225/4885ATM 4586/4885
US-20160251392-A1 5-Beta, 14-Beta-Androstane Derivatives Useful For The Treatment Of Proteinuria, Glomerulosclerosis And Renal Failure NR5A1, SRD5A2, SHBG MEN1 3099/4885KMT2A 4413/4885ATM 4065/4885

“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.