SCHEMBL6428417

SCHEMBL6428417

C[C@@]1(N)CCCN(c2ncc(F)c(=O)n2Cc2c(F)cccc2C#N)C1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.53
CYP2D6 P10635 2/20 0.42
KCNH2 Q12809 1/20 0.42
DPP8 Q6V1X1 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 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
SCHEMBL3394183 0.88 DPP4 (0.68) DPP4DPP8
SCHEMBL3394182 0.88 DPP4 (0.68) DPP4DPP8
SCHEMBL3389639 0.83 DPP4 (0.69) DPP4CYP2D6KCNH2CYP3A4CYP1A2
SCHEMBL3389637 0.83 DPP4 (0.69) DPP4CYP2D6KCNH2CYP3A4CYP1A2
SCHEMBL3388739 0.77 DPP4 (0.69) DPP4DPP8
SCHEMBL3388737 0.77 DPP4 (0.69) DPP4DPP8
SCHEMBL18851336 0.77 DPP4 (0.66) DPP4CYP2D6KCNH2CYP3A4CYP1A2
SCHEMBL18851717 0.72 DPP4 (0.59) DPP4CYP2D6KCNH2CYP3A4CYP1A2
SCHEMBL18851689 0.72 DPP4 (0.59) DPP4CYP2D6KCNH2CYP3A4CYP1A2
SCHEMBL15300603 0.72 DPP4 (0.63) DPP4CYP2D6KCNH2CYP3A4CYP1A2

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-20050070535-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-03-31 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-20050070535-A1 Dipeptidyl peptidase inhibitors DPP4, DPP3, DPP7 DPP4 1/4885CYP2D6 188/4885KCNH2 2777/4885

“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.