SCHEMBL10244864

SCHEMBL10244864

COc1nc(N2CCNCC2)c2[nH]c(=O)n(Cc3ccccc3C#N)c2n1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.49
CYP3A4 P08684 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2B Q13224 5/20 0.42
TNKS O95271 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL13876318 0.86 DPP4 (0.51) DPP4CYP3A4GRIN1GRIN2BTNKS
SCHEMBL12845233 0.82 DPP4 (0.51) DPP4CYP3A4
SCHEMBL10190443 0.79 DPP4 (0.51) DPP4
SCHEMBL13875682 0.78 TLR7 (0.39)
SCHEMBL13876308 0.76 TLR7 (0.42)
SCHEMBL13875752 0.75 HTR2C (0.43) DPP4CYP3A4
SCHEMBL13876124 0.74 HTR3A (0.37)
SCHEMBL13875683 0.74 SLC2A1 (0.53) CYP3A4
SCHEMBL13875864 0.74 TLR7 (0.49)
Trifluoroacetic Acid SCHEMBL3880948 0.74 DPP4 (0.45) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 DPP4 3186/4885CYP3A4 54/4885GRIN1 257/4885

“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.