SCHEMBL2985651

SCHEMBL2985651

CC1(N)CC2SCC(C#N)N2C1=O

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.70

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
SCHEMBL8269479 1.00 DPP4 (0.70) DPP4
SCHEMBL8271510 0.81 DPP4 (1.00) DPP4
SCHEMBL8294400 0.79 DPP4 (0.75) DPP4
SCHEMBL8271511 0.79 DPP4 (1.00) DPP4
SCHEMBL8271515 0.77 DPP4 (1.00) DPP4
SCHEMBL13205203 0.77 DPP4 (1.00) DPP4
SCHEMBL8271512 0.77 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2973326 0.76 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2973270 0.75 DPP4 (1.00) DPP4
SCHEMBL8295868 0.74 DPP4 (0.79) DPP4

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 6 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 claimed
EP-1778220-A1 CONSTRAINED CYANO COMPOUNDS Phenomix Corporation (US) 2007-05-02 EP claimed
WO-2006017292-A1 CONSTRAINED CYANO COMPOUNDS PHENOMIX CORPORATION (US) 2006-02-16 WO claimed
US-20060009518-A1 Constrained cyano compounds Forest Laboratories Holding Limited (BM) 2006-01-12 US claimed
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US 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 DPP4 9/4885

“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.