SCHEMBL1242517

SCHEMBL1242517

O=C(O)N(Cc1ccccc1)[C@H]1CN(c2cc(Cl)ncn2)CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
DPP9 Q86TI2 11/20 0.45
DPP8 Q6V1X1 10/20 0.45
DPP7 Q9UHL4 10/20 0.45
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 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
SCHEMBL1240951 0.88 PANK3 (0.49) DPP4DPP9DPP8DPP7CYP2D6
SCHEMBL1243220 0.81 DPP4 (0.45) DPP4DPP9DPP8DPP7MCHR1
SCHEMBL2937242 0.76 DPP4 (0.48) DPP4DPP9DPP8DPP7CYP2D6
SCHEMBL1242542 0.71 CTSD (0.47) DPP4DPP9DPP8DPP7KCNH2
SCHEMBL1528549 0.70 DPP4 (0.42) DPP4DPP9DPP8DPP7
SCHEMBL5924085 0.68 DPP4 (0.48) DPP4DPP8DPP7CYP2D6
SCHEMBL1528449 0.67 C5AR1 (0.41) DPP4DPP9DPP8DPP7
SCHEMBL1528482 0.67 C5AR1 (0.41) DPP4DPP9DPP8DPP7
SCHEMBL1242418 0.66 DPP4 (0.45) DPP4DPP9DPP8DPP7
SCHEMBL5118281 0.66 DPP4 (0.45) DPP4DPP9DPP8DPP7

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-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP9 4/4885DPP8 5/4885

“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.