SCHEMBL8206959

SCHEMBL8206959

CCn1c(N2CCC[C@@H](N)C2)cc2c1c(=O)n(Cc1nc3ccccc3cc1C#N)c(=O)n2C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.54
CYP3A4 P08684 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
OPRM1 P35372 1/20 0.53
OPRK1 P41145 1/20 0.53
KCNH2 Q12809 5/20 0.49

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
SCHEMBL12047564 0.92 DPP4 (0.57) DPP4CYP3A4CYP1A2CYP2D6KCNH2
SCHEMBL10067751 0.86 DPP4 (0.64) DPP4
SCHEMBL8206963 0.86 DPP4 (0.62) DPP4CYP3A4CYP1A2CYP2D6OPRM1
SCHEMBL8214898 0.86 DPP4 (0.73) DPP4CYP3A4CYP1A2CYP2D6OPRM1
SCHEMBL8212902 0.85 DPP4 (0.65) DPP4OPRM1OPRK1KCNH2
SCHEMBL8206433 0.84 DPP4 (0.63) DPP4CYP3A4CYP1A2CYP2D6OPRM1
SCHEMBL8212782 0.81 DPP4 (0.52) DPP4OPRM1OPRK1KCNH2
SCHEMBL8216730 0.81 DPP4 (0.63) DPP4CYP3A4KCNH2
SCHEMBL19154444 0.81 DPP4 (0.61) DPP4
SCHEMBL24509039 0.81 DPP4 (0.61) 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 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 1/4885CYP3A4 234/4885CYP1A2 1325/4885

“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.