SCHEMBL1243220

SCHEMBL1243220

O=C(O)N(Cc1ccccc1)[C@H]1CN(c2ccc(-c3ccc(F)cc3)nn2)CC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.45
DPP7 Q9UHL4 8/20 0.45
DPP8 Q6V1X1 7/20 0.45
DPP9 Q86TI2 8/20 0.43
PDK1 Q15118 2/20 0.41
SCD O00767 4/20 0.40
MCHR1 Q99705 1/20 0.39

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 0.86 PANK3 (0.49) DPP4DPP7DPP8DPP9MCHR1
SCHEMBL1242517 0.81 DPP4 (0.49) DPP4DPP7DPP8DPP9MCHR1
Trifluoroacetic Acid SCHEMBL1243191 0.76 DPP4 (0.73) DPP4DPP7DPP8DPP9
SCHEMBL12891142 0.76 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL8263896 0.76 DPP4 (0.61) DPP4DPP7DPP8DPP9
SCHEMBL1242542 0.69 CTSD (0.47) DPP4DPP7DPP8DPP9
SCHEMBL1528549 0.69 DPP4 (0.42) DPP4DPP7DPP8DPP9
SCHEMBL1528482 0.66 C5AR1 (0.41) DPP4DPP7DPP8DPP9
SCHEMBL1528449 0.66 C5AR1 (0.41) DPP4DPP7DPP8DPP9
SCHEMBL2331013 0.63 NPC1 (0.49) SCD

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 1/4885DPP7 3/4885DPP8 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.