SCHEMBL4019671

SCHEMBL4019671

Cc1ccc(-c2c(N(C)C(=O)O)c(CC(C)(C)C)nc3ccc(-c4nc(C(N)=O)cs4)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.51
ALDH1A1 P00352 3/20 0.40
DPP9 Q86TI2 7/20 0.38
DPP8 Q6V1X1 5/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL3893438 0.88 DPP4 (0.65) DPP4
Hydrochloric Acid SCHEMBL3890609 0.84 DPP4 (0.68) DPP4DPP9DPP8
SCHEMBL4019669 0.83 DPP4 (0.56) DPP4ALDH1A1DPP9DPP8RAB9A
SCHEMBL3901983 0.80 DPP4 (0.41) DPP4DPP9DPP8
SCHEMBL3896594 0.80 DPP4 (0.63) DPP4ALDH1A1
Hydrochloric Acid SCHEMBL3893687 0.78 DPP4 (0.77) DPP4ALDH1A1DPP9DPP8
SCHEMBL3895939 0.77 DPP4 (0.56) DPP4ALDH1A1DPP9DPP8RAB9A
Hydrochloric Acid SCHEMBL3902203 0.76 DPP4 (0.69) DPP4DPP9DPP8
Hydrochloric Acid SCHEMBL3893765 0.75 DPP4 (0.64) DPP4DPP9DPP8
SCHEMBL3893923 0.74 DPP4 (0.42) DPP4DPP9DPP8

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-7547710-B2 Fused heterocyclic compounds as peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-16 US disclosed
EP-1527049-B1 FUSED HETEROCYCLIC COMPOUNDS AS PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2008-07-16 EP disclosed
US-20060135530-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 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-20060135530-A1 Fused heterocyclic compounds NR4A3, DPP3, INSR DPP4 13/4885ALDH1A1 2712/4885DPP9 39/4885

“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.