SCHEMBL683432

SCHEMBL683432

O=C(O)[C@@H]1CCCN1C(=O)CCS

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.69
LMNA P02545 2/20 0.55
HSD17B10 Q99714 2/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.55
F2 P00734 1/20 0.55
REN P00797 1/20 0.55
LTA4H P09960 1/20 0.55
MAPT P10636 1/20 0.55
PEPD P12955 1/20 0.55
ALOX15 P16050 1/20 0.55
PTGS1 P23219 1/20 0.55
HTR2A P28223 1/20 0.55
PTGS2 P35354 1/20 0.55
HRH1 P35367 1/20 0.55
THPO P40225 1/20 0.55
PMP22 Q01453 1/20 0.55
ACE2 Q9BYF1 1/20 0.55

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
SCHEMBL6789984 1.00 ACE (0.69) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL6789982 1.00 ACE (0.69) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL7377396 0.95 ACE (0.62) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL3048970 0.90 ACE (0.60) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL7377569 0.89 ACE (0.54) ACELMNAHSD17B10CYP2C19KDM4E
SCHEMBL6782705 0.89 ACE (0.72) ACEREN
SCHEMBL6782701 0.89 ACE (0.72) ACEREN
Miridesap SCHEMBL1685022 0.85 ACE (0.68) ACEREN
SCHEMBL6794104 0.85 ACE (0.68) ACERENACE2
SCHEMBL6794095 0.85 ACE (0.68) ACERENACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862556-B1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 2001-09-05 EP claimed
EP-0862556-A4 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 1999-02-03 EP claimed
WO-1998041211-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
EP-0862556-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1998025622-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING BONE LOSS MERCK & CO., INC. (US) 1998-06-18 WO claimed
US-5763361-A 17-alkyl-7-substituted-4-aza steroid derivatives as 5-α-reductase inhibitors MERCK & CO., INC. (US) 1998-06-09 US claimed
WO-1998009632-A1 METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR MERCK & CO., INC. (US) 1998-03-12 WO claimed
WO-1997015558-A1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO., INC. (US) 1997-05-01 WO claimed
US-20140032198-A1 APPLICATION OF MULTIDIMENSIONAL MATRIX FOR DRUG MOLECULAS DESIGN AND THE METHODOLOGIES FOR DRUG MOLECULAR DESIGN YAN JINGBO (CN) 2014-01-30 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
EP-0862556-B1 17-ALKYL-7-SUBSTITUTED-4-AZA STEROID DERIVATIVES MERCK & CO INC (US) 2001-09-05 EP disclosed
EP-0009898-B1 NOVEL ANTI-HYPERTENSIVE MERCAPTOACYLAMINO ACID DERIVATIVES, THEIR PREPARATION AND USE UNIVERSITY OF MIAMI (US) 1983-05-18 EP disclosed
EP-0035383-A1 Angiotensin converting enzyme inhibitors UNIVERSITY OF MIAMI (US) 1981-09-09 EP disclosed
EP-0009898-A1 Novel anti-hypertensive mercaptoacylamino acid derivatives, their preparation and use UNIVERSITY OF MIAMI (US) 1980-04-16 EP disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed
US-4046889-A HYPOTENSIVE AGENTS, ENZYME INHIBITORS, ANGIOTENSIN CONVERSION E. R. SQUIBB & SONS, INC. (US) 1977-09-06 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 (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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885LMNA 3688/4885HSD17B10 3423/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885LMNA 2155/4885HSD17B10 2865/4885

“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.