SCHEMBL2970576

SCHEMBL2970576

CC(C)(C)OC(=O)NC1CC2SCC(C#N)N2C1=O

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 2/20 0.61
DPP4 P27487 9/20 0.49
GAA P10253 1/20 0.39
CTSK P43235 2/20 0.38
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35

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
SCHEMBL8271402 1.00 PREP (0.61) PREPDPP4GAACTSKNFKB1
SCHEMBL8272077 1.00 PREP (0.61) PREPDPP4GAACTSKNFKB1
SCHEMBL6062491 0.81 PREP (0.64) PREPDPP4
SCHEMBL6063678 0.81 PREP (0.64) PREPDPP4
SCHEMBL6062493 0.81 PREP (0.64) PREPDPP4
SCHEMBL2981812 0.81 PREP (0.41) PREPGAANFKB1NFKB2RELA
SCHEMBL8294395 0.81 PREP (0.41) PREPGAANFKB1NFKB2RELA
SCHEMBL6062213 0.81 PREP (0.43) PREPGAANFKB1NFKB2RELA
SCHEMBL6063342 0.81 PREP (0.43) PREPGAANFKB1NFKB2RELA
SCHEMBL6062416 0.81 PREP (0.43) PREPGAANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed
EP-1778220-A1 CONSTRAINED CYANO COMPOUNDS Phenomix Corporation (US) 2007-05-02 EP disclosed
WO-2006017292-A1 CONSTRAINED CYANO COMPOUNDS PHENOMIX CORPORATION (US) 2006-02-16 WO disclosed
US-20060009518-A1 Constrained cyano compounds Forest Laboratories Holding Limited (BM) 2006-01-12 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-20060009518-A1 Constrained cyano compounds DNPEP, PREP, PEPD PREP 2/4885DPP4 9/4885GAA 284/4885

“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.