SCHEMBL2408415

SCHEMBL2408415

CC(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.48
▸ XIAP P98170 1/20 0.47
▸ DPP4 P27487 4/20 0.45
▸ FAP Q12884 3/20 0.45
▸ DPP8 Q6V1X1 3/20 0.45
▸ DPP9 Q86TI2 3/20 0.45
▸ DPP7 Q9UHL4 3/20 0.45
▸ ACE P12821 2/20 0.45
▸ REN P00797 1/20 0.45
▸ STAT3 P40763 5/20 0.43
▸ F2 P00734 1/20 0.42

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
SCHEMBL23135343 0.85 XIAP (0.53) OPRM1XIAPDPP4FAPDPP8
SCHEMBL23135342 0.85 XIAP (0.53) OPRM1XIAPDPP4FAPDPP8
SCHEMBL3808351 0.85 STAT3 (0.48) OPRM1STAT3
SCHEMBL4337499 0.85 DPP4 (0.45) OPRM1XIAPDPP4FAPDPP8
SCHEMBL4337493 0.85 DPP4 (0.45) OPRM1XIAPDPP4FAPDPP8
SCHEMBL3817115 0.84 DPP4 (0.41) OPRM1XIAPDPP4FAPDPP8
SCHEMBL29641763 0.83 DPP4 (0.51) OPRM1XIAPDPP4FAPDPP8
SCHEMBL29485135 0.83 OPRM1 (0.51) OPRM1XIAPDPP4FAPDPP8
SCHEMBL30473075 0.83 DPP4 (0.51) OPRM1XIAPDPP4FAPDPP8
SCHEMBL3813773 0.83 PEPD (0.57) DPP4FAPDPP8DPP9DPP7

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-8471063-B2 Michael systems as transglutaminase inhibitors ZEDIRA GMBH (DE) 2013-06-25 — — US disclosed
US-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS ZEDIRA GMBH (DE) 2011-09-22 — — 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-20110229568-A1 MICHAEL SYSTEMS AS TRANSGLUTAMINASE INHIBITORS TGM2, TGM3, TGM1 OPRM1 4413/4885XIAP 1171/4885DPP4 248/4885

“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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