SCHEMBL683116

SCHEMBL683116

COC(=O)[C@@H]1CCCN1C(=O)[C@H](C)CS

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.71
REN P00797 4/20 0.71
PEPD P12955 3/20 0.71
KDM4E B2RXH2 1/20 0.71
F2 P00734 1/20 0.71
LMNA P02545 1/20 0.71
LTA4H P09960 1/20 0.71
MAPT P10636 1/20 0.71
ALOX15 P16050 1/20 0.71
PTGS1 P23219 1/20 0.71
HTR2A P28223 1/20 0.71
PTGS2 P35354 1/20 0.71
HRH1 P35367 1/20 0.71
THPO P40225 1/20 0.71
PMP22 Q01453 1/20 0.71
HSD17B10 Q99714 1/20 0.71
ACE2 Q9BYF1 1/20 0.71
XPNPEP1 Q9NQW7 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL28545395 1.00 ACE (0.71) ACERENPEPDKDM4EF2
SCHEMBL28545392 1.00 ACE (0.71) ACERENPEPDKDM4EF2
SCHEMBL38660845 1.00 ACE (0.71) ACERENPEPDKDM4EF2
SCHEMBL21533006 1.00 ACE (0.71) ACERENPEPDKDM4EF2
SCHEMBL10511283 0.90 ACE (0.73) ACERENPEPDKDM4EF2
SCHEMBL11548034 0.88 ACE (0.56) ACERENPEPDKDM4EF2
SCHEMBL24360326 0.87 ACE (0.69) ACERENPEPDKDM4EF2
SCHEMBL18124445 0.87 PEPD (0.53) ACERENPEPDKDM4EF2
SCHEMBL18595211 0.87 PEPD (0.53) ACERENPEPDKDM4EF2
SCHEMBL27015252 0.87 PEPD (0.53) ACERENPEPDKDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178351-A Flavanol captopril derivative and synthetic method and application thereof 沈阳药科大学 2023-05-30 CN disclosed
CN-112526056-B Separation and detection method of captopril and diastereoisomer thereof 江苏晶立信医药科技有限公司 2022-06-10 CN disclosed
CN-112526056-A Separation and detection method of captopril and diastereoisomer thereof 江苏晶立信医药科技有限公司 2021-03-19 CN 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

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 4514/4885REN 4301/4885PEPD 4236/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885REN 15/4885PEPD 366/4885

“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.