SCHEMBL18085978

SCHEMBL18085978

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 1/20 0.59
▸ FAP Q12884 1/20 0.59
▸ PEPD P12955 4/20 0.49
▸ XPNPEP1 Q9NQW7 2/20 0.49
▸ POLB P06746 1/20 0.48
▸ DPP4 P27487 1/20 0.44
▸ DPP8 Q6V1X1 1/20 0.44
▸ DPP9 Q86TI2 1/20 0.44
▸ FKBP1A P62942 1/20 0.43
▸ ACE P12821 4/20 0.41
▸ REN P00797 3/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ HTR2A P28223 1/20 0.41

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
SCHEMBL15692884 0.88 PEPD (0.49) PREPFAPPEPDXPNPEP1POLB
SCHEMBL17282584 0.86 PREP (0.64) PREPFAPPEPDDPP4DPP8
SCHEMBL11376449 0.85 PREP (0.62) PREPFAPPEPDACEREN
SCHEMBL11376437 0.85 PREP (0.62) PREPFAPPEPDACEREN
SCHEMBL15584468 0.84 FKBP1A (0.48) PREPFAPPEPDXPNPEP1POLB
SCHEMBL23314580 0.84 PREP (0.61) PREPFAPPEPDDPP4DPP8
SCHEMBL11440574 0.84 PREP (0.61) PREPFAPPEPDDPP4DPP8
SCHEMBL7311829 0.83 KLK5 (0.53) PREPFAPPEPDXPNPEP1POLB
SCHEMBL14235323 0.83 KLK5 (0.53) PREPFAPPEPDXPNPEP1POLB
SCHEMBL17348390 0.83 KLK5 (0.53) PREPFAPPEPDXPNPEP1POLB

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 PREP 394/4885FAP 2167/4885PEPD 52/4885

“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.

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