SCHEMBL8774874

SCHEMBL8774874

N#Cc1ccc(F)cc1Cn1c(N2CCC[C@@H](N)C2)cc(=O)[nH]c1=O

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.77
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67

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
SCHEMBL390872 0.87 DPP4 (1.00) DPP4
SCHEMBL389654 0.87 DPP4 (1.00) DPP4
Trelagliptin SCHEMBL175726 0.86 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6
Trelagliptin SCHEMBL175727 0.86 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6
Trelagliptin SCHEMBL29349599 0.86 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6
SCHEMBL27964065 0.84 DPP4 (0.86) DPP4CYP1A2CYP3A4CYP2D6
Benzoic Acid SCHEMBL20474742 0.81 DPP4 (0.86) DPP4CYP3A4
Trelagliptin SCHEMBL29364762 0.81 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6
Trelagliptin SCHEMBL28390472 0.81 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6
Trelagliptin SCHEMBL19534887 0.81 DPP4 (1.00) DPP4CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129878-A1 TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-05-24 US disclosed
US-20120129878-A1 TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-05-24 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-20120129878-A1 TABLET AQP1, PNN, PFN1 DPP4 6/4885CYP1A2 2362/4885CYP3A4 844/4885

“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.