SCHEMBL6063147

SCHEMBL6063147

CC(C)(C)OC(=O)N[C@]1(CO)C[C@@H]2SC[C@@H](C(N)=O)N2C1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP4 P27487 2/20 0.31
F2 P00734 1/20 0.30
PPIA P62937 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6062512 0.91 DPP8 (0.32) DPP8DPP9PPIAMEN1MAPK1
SCHEMBL8294822 0.90 PPIA (0.31) DPP8DPP9PPIA
SCHEMBL6062214 0.89 DPP4 (0.38) DRD2DPP4
SCHEMBL1730102 0.85 DPP4 (0.40) DPP4F2PPIAKMT2A
SCHEMBL1728396 0.83 DPP4 (0.48) DPP4
SCHEMBL1730098 0.82 PPIA (0.32) DPP8DPP9PPIA
SCHEMBL6062357 0.80 DPP4 (0.36) DPP4
SCHEMBL6063522 0.80 DPP4 (0.36) DPP4
SCHEMBL6479927 0.79 DPP4 (0.35) DPP4PPIA
SCHEMBL6063409 0.79 DPP4 (0.35) DPP4PPIA

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-7008957-B2 Bicyclic cyanoheterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-03-07 US disclosed
US-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-03-17 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-20050059716-A1 Novel bicyclic cyanoheterocycles, process for their preparation and their use as medicaments CYP11B2, GOT2, CYP11B1 DRD2 1486/4885DPP8 1128/4885DPP9 1227/4885

“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.