SCHEMBL1242542

SCHEMBL1242542

O=C(O)N(Cc1ccccc1)[C@H]1CNCC[C@@H]1c1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.47
DCUN1D1 Q96GG9 2/20 0.41
SLC6A4 P31645 4/20 0.40
SLC6A2 P23975 3/20 0.40
KCNH2 Q12809 2/20 0.40
SLC6A3 Q01959 2/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
AGER Q15109 2/20 0.38
MTNR1A P48039 1/20 0.38
TACR1 P25103 3/20 0.37
HTR2A P28223 2/20 0.37
UBE2M P61081 1/20 0.37
REN P00797 1/20 0.36

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
SCHEMBL1528549 0.81 DPP4 (0.42) CTSDDCUN1D1DPP4DPP8DPP9
SCHEMBL6118312 0.78 CTSD (0.44) CTSDDPP4DPP8DPP9DPP7
SCHEMBL1467750 0.77 CTSD (0.56) CTSDDCUN1D1SLC6A4SLC6A2KCNH2
SCHEMBL1467754 0.77 CTSD (0.56) CTSDDCUN1D1SLC6A4SLC6A2KCNH2
SCHEMBL1467752 0.77 CTSD (0.56) CTSDDCUN1D1SLC6A4SLC6A2KCNH2
SCHEMBL1528449 0.77 C5AR1 (0.41) CTSDDCUN1D1DPP4DPP8DPP9
SCHEMBL1528482 0.77 C5AR1 (0.41) CTSDDCUN1D1DPP4DPP8DPP9
SCHEMBL5124398 0.76 DPP4 (0.35) SLC6A4KCNH2DPP4DPP8DPP9
SCHEMBL1976153 0.75 CTSD (0.52) CTSDDCUN1D1SLC6A4SLC6A2KCNH2
SCHEMBL1470444 0.75 CTSD (0.56) CTSDDCUN1D1SLC6A4SLC6A2KCNH2

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 CTSD 665/4885DCUN1D1 2915/4885SLC6A4 188/4885

“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.