SCHEMBL2262901

SCHEMBL2262901

CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.53
REN P00797 4/20 0.51
KDM4E B2RXH2 1/20 0.51
F2 P00734 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
MAPT P10636 1/20 0.51
PEPD P12955 1/20 0.51
ALOX15 P16050 1/20 0.51
PTGS1 P23219 1/20 0.51
HTR2A P28223 1/20 0.51
PTGS2 P35354 1/20 0.51
HRH1 P35367 1/20 0.51
THPO P40225 1/20 0.51
PMP22 Q01453 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ACE2 Q9BYF1 1/20 0.51
CMA1 P23946 2/20 0.49
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL17348387 1.00 ACE (0.53) ACERENKDM4EF2LMNA
SCHEMBL13950858 1.00 ACE (0.53) ACERENKDM4EF2LMNA
SCHEMBL16000759 1.00 ACE (0.53) ACERENKDM4EF2LMNA
SCHEMBL6242739 1.00 ACE (0.53) ACERENKDM4EF2LMNA
SCHEMBL10297420 0.95 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL10653958 0.95 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL8054270 0.95 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL10297415 0.95 ACE (0.49) ACERENKDM4EF2LMNA
SCHEMBL8611981 0.95 ACE (0.49) ACERENKDM4EF2LMNA
Ethanesulfonic Acid Amide SCHEMBL10976696 0.91 ACE (0.48) ACERENKDM4EF2LMNA

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
WO-2014054980-A1 NA-ACYL DERIVATIVES OF AMINOACYL-2-CYANOPYRROLIDINE-INHIBITORS OF PROLYL ENDOPEPTIDASE AND DIPEPTIDYL PEPTIDASE-IV, HAVING HYPOGLYCEMIC, ANTIHYPOXIC, NEUROPROTECTIVE ACTION AND ACTION OF COGNITIVE FUNCTION IMPROVEMENT DAPHOT ENTERPRAISES LIMITED (CY) 2014-04-10 WO disclosed
US-7994168-B2 Hexahydro-pyrazino[1,2-A]pyrimidine-4,7-dione derivatives substituted with amino acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2011-08-09 US disclosed
US-20070197539-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-08-23 US disclosed
WO-1992004370-A1 MODIFIED DI- AND TRIPEPTIDYL IMMUNOSUPPRESSIVE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 1992-03-19 WO disclosed
US-4277395-A OF ELASTASE; OLIGOPEPTIDES RICHARDSON-MERRELL INC. (US) 1981-07-07 US disclosed
US-4029772-A FOR TREATMENT OF PANCREATITIS MERCK & CO., INC. (US) 1977-06-14 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 (1 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-20070197539-A1 HEXAHYDRO-PYRAZINO[1,2-A]PYRIMIDINE-4,7-DIONE DERIVATIVES SUBSTITUTED WITH AMINO ACIDS TYMP, DPYD, P2RX7 ACE 81/4885REN 513/4885KDM4E 3605/4885

“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.