SCHEMBL18088488

SCHEMBL18088488

CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.60
ACE2 Q9BYF1 6/20 0.57
KLK5 Q9Y337 1/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
LMNA P02545 1/20 0.52
REN P00797 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL18620591 0.92 ACE (0.64) ACEACE2KLK5ALDH1A1CYP3A4
SCHEMBL7303514 0.92 ACE (0.64) ACEACE2KLK5ALDH1A1CYP3A4
SCHEMBL7381466 0.92 ACE (0.67) ACEACE2LMNASMN1; SMN2
SCHEMBL7428633 0.88 ACE (0.57) ACEACE2ALDH1A1CYP3A4TSHR
SCHEMBL6437871 0.88 ACE (0.57) ACEACE2ALDH1A1CYP3A4TSHR
SCHEMBL18085979 0.87 ACE (0.64) ACEACE2KLK5
SCHEMBL7268512 0.87 KLK5 (0.69) ACEKLK5
SCHEMBL12658455 0.87 KLK5 (0.69) ACEKLK5
SCHEMBL28002552 0.87 KLK5 (0.69) ACEKLK5
SCHEMBL28002546 0.87 KLK5 (0.69) ACEKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878975-B2 Catalytic hydrogenation for producing amines from carboxylic acid amides, carboxylic acid diamides, di-, tri-, or polypeptides, or peptide amides EVONIK DEGUSSA GMBH (DE) 2018-01-30 US disclosed
US-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides EVONIK DEGUSSA GMBH (DE) 2016-09-22 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-20160272571-A1 Catalytic Hydrogenation for Producing Amines from Carboxylic Acid Amides, Carboxylic Acid Diamides, Di-, Tri-, or Polypeptides, or Peptide Amides DAO, DDC, HDGF ACE 1627/4885ACE2 2762/4885KLK5 3630/4885

“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.