SCHEMBL6480829

SCHEMBL6480829

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

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 18/20 0.51
▸ PREP P48147 2/20 0.43

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
SCHEMBL6480831 1.00 DPP4 (0.51) DPP4PREP
SCHEMBL6478576 0.80 F2 (0.32) DPP4
SCHEMBL6479528 0.80 F2 (0.32) DPP4
SCHEMBL6063678 0.70 PREP (0.64) DPP4PREP
SCHEMBL6062493 0.70 PREP (0.64) DPP4PREP
SCHEMBL6062491 0.70 PREP (0.64) DPP4PREP
Trifluoroacetic Acid SCHEMBL1728237 0.70 DPP4 (0.77) DPP4PREP
SCHEMBL8272077 0.69 PREP (0.61) DPP4PREP
SCHEMBL2970576 0.69 PREP (0.61) DPP4PREP
SCHEMBL8271402 0.69 PREP (0.61) DPP4PREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 DPP4 374/4885PREP 1516/4885

“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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