SCHEMBL5376746

SCHEMBL5376746

N#Cc1ccc(NCC2CCC(C(=O)N3CCCC3C#N)N2)nc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.67
DPP8 Q6V1X1 2/20 0.62
DPP7 Q9UHL4 2/20 0.62
PREP P48147 1/20 0.60
FAP Q12884 1/20 0.60
DPP9 Q86TI2 1/20 0.60
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57

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
SCHEMBL5374975 0.80 DPP4 (1.00) DPP4DPP8DPP7PREPFAP
SCHEMBL5374969 0.80 DPP4 (1.00) DPP4DPP8DPP7PREPFAP
SCHEMBL5368160 0.79 DPP4 (0.81) DPP4OPRM1OPRD1
SCHEMBL5366065 0.79 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5368164 0.79 DPP4 (0.81) DPP4OPRM1OPRD1
SCHEMBL5366058 0.79 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL220478 0.77 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL5548804 0.77 DPP4 (0.85) DPP4DPP8DPP7DPP9
SCHEMBL160102 0.77 DPP4 (1.00) DPP4DPP8DPP7
SCHEMBL29416829 0.77 DPP4 (1.00) DPP4DPP8DPP7

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-7205409-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2007-04-17 US disclosed
US-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBVIE INC. 2005-06-16 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-20050131019-A1 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) DPP4, DPP3, DPP7 DPP4 1/4885DPP8 5/4885DPP7 3/4885

“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.