SCHEMBL3145172

SCHEMBL3145172

Cn1nnc2ccc(-c3ccccc3Cl)c(C#N)c21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.61
DPP8 Q6V1X1 5/20 0.61
HSD11B1 P28845 4/20 0.43
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TDO2 P48775 1/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
HIF1A Q16665 2/20 0.38
GALR3 O60755 1/20 0.38
PSMB8 P28062 1/20 0.37
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 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
SCHEMBL13415972 0.81 DPP4 (0.68) DPP4DPP8HSD11B1ALDH1A1TDO2
SCHEMBL3139641 0.80 DPP4 (0.62) DPP4DPP8HSD11B1KDM4EALDH1A1
SCHEMBL3154320 0.77 DPP4 (0.62) DPP4DPP8HSD11B1KDM4EALDH1A1
SCHEMBL3154186 0.76 DPP4 (1.00) DPP4DPP8
SCHEMBL3145122 0.73 DPP4 (0.69) DPP4DPP8HPGDKMT2ALMNA
SCHEMBL29463863 0.73 DPP4 (0.69) DPP4DPP8HPGDKMT2ALMNA
SCHEMBL3153064 0.72 DPP4 (0.67) DPP4DPP8HSD11B1KDM4EALDH1A1
SCHEMBL3149850 0.70 DPP4 (0.67) DPP4DPP8KDM4EALDH1A1HPGD
SCHEMBL3135758 0.69 DPP4 (0.68) DPP4DPP8HSD11B1KDM4EHPGD
SCHEMBL10775894 0.69 DPP4 (0.51) DPP4DPP8HSD11B1TDO2KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687638-B2 Dipeptidyl peptidase inhibitors TAKEDA SAN DIEGO, INC. (US) 2010-03-30 US disclosed
EP-1753730-A1 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
WO-2005118555-A1 DIPEPTIDYL PEPTIDASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-15 WO disclosed
US-20050272765-A1 Dipeptidyl peptidase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-08 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-20050272765-A1 Dipeptidyl peptidase inhibitors DPP3, DPP4, DPP7 DPP4 2/4885DPP8 5/4885HSD11B1 509/4885

“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.