SCHEMBL8214898

SCHEMBL8214898

CCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1ccccc1C#N)c(=O)n2C

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.73
OPRM1 P35372 1/20 0.73
OPRK1 P41145 1/20 0.73
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65

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
SCHEMBL12047563 0.91 DPP4 (0.70) DPP4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL8206963 0.87 DPP4 (0.62) DPP4OPRM1OPRK1CYP1A2CYP3A4
SCHEMBL8206959 0.86 DPP4 (0.54) DPP4OPRM1OPRK1CYP1A2CYP3A4
Alogliptin SCHEMBL1071798 0.85 DPP4 (0.91) DPP4OPRM1OPRK1
Alogliptin SCHEMBL17036596 0.85 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL121028 0.85 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL174188 0.85 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL29352995 0.85 DPP4 (1.00) DPP4OPRM1OPRK1
SCHEMBL386997 0.84 DPP4 (1.00) DPP4OPRM1OPRK1
Alogliptin SCHEMBL475872 0.84 DPP4 (0.98) DPP4OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071583-B2 Pyrrolo[3,2-D] pyrimidines as DPP-IV inhibitors for the treatment of diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-06 US disclosed
US-20090325926-A1 PYRROLO[3,2-D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-12-31 US disclosed
WO-2008017670-A1 PYRROLO [3, 2 -D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO 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-20090325926-A1 PYRROLO[3,2-D] PYRIMIDINES AS DPP-IV INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS DPP4, DPP3, DPP7 DPP4 1/4885OPRM1 1294/4885OPRK1 1557/4885

“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.