SCHEMBL2678393

SCHEMBL2678393

O=C(O)CNN1CCC[C@H]1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.41
REN P00797 4/20 0.41
LMNA P02545 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 1/20 0.38
PEPD P12955 1/20 0.38
ALOX15 P16050 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2A P28223 1/20 0.38
PTGS2 P35354 1/20 0.38
HRH1 P35367 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL22175770 1.00 ACE (0.41) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28209840 0.82 ACE (0.45) ACERENLMNAHSD17B10CYP2C19
SCHEMBL27889361 0.81 ACE (0.44) ACERENLMNAHSD17B10CYP2C19
SCHEMBL5798199 0.80 ACE (0.43) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28864618 0.79 RAB9A (0.35) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28323878 0.79 ACE (0.40) ACERENLMNAHSD17B10CYP2C19
SCHEMBL27218087 0.78 SPHK1 (0.34) F2
SCHEMBL19521446 0.77 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL19521447 0.77 ACE (0.39) ACERENLMNAHSD17B10CYP2C19
SCHEMBL28623928 0.76 POLB (0.32) LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 US disclosed
EP-1660017-A2 AMINO ACID PRODRUGS Signature R&D Holdings, LLC (US) 2006-05-31 EP disclosed
WO-2005046575-A2 AMINO ACID PRODRUGS SIGNATURE R & D HOLDINGS, LCC (US) 2005-05-26 WO 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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 ACE 96/4885REN 701/4885LMNA 4367/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 ACE 96/4885REN 701/4885LMNA 4367/4885

“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.