SCHEMBL20528287

SCHEMBL20528287

COCCN1c2c(c(=O)[nH]c(=O)n2C)N(Cc2ccccc2C#N)C1N1CCCC(N)C1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
OPRM1 P35372 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL15533388 0.86 DPP4 (0.47) DPP4OPRM1OPRK1
SCHEMBL5335575 0.76 DPP4 (0.45) DPP4OPRM1OPRK1
SCHEMBL15533861 0.74 DPP4 (0.43) DPP4
SCHEMBL15533200 0.72 DPP4 (0.42) DPP4
SCHEMBL28018613 0.72 DPP4 (0.36) DPP4OPRM1OPRK1
SCHEMBL6674842 0.68 DPP4 (0.39) DPP4
SCHEMBL16476640 0.68 DPP4 (0.51) DPP4OPRM1OPRK1
SCHEMBL27600222 0.68 TSHR (0.39) DPP4
SCHEMBL639135 0.68 DPP4 (1.00) DPP4
SCHEMBL15516850 0.68 DPP4 (0.53) 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-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2018-10-11 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-20180291025-A1 8-[3-AMINO-PIPERIDIN-1-YL]-XANTHINES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP8, DPP4, DPP3 DPP4 2/4885OPRM1 428/4885OPRK1 501/4885

“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.