SCHEMBL5454460

SCHEMBL5454460

CCOC(=O)C=C(N)CC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.47
ALOX15 P16050 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 5/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL5454457 1.00 NPSR1 (0.47) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL7598957 0.83 NPSR1 (0.46) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL7912959 0.79 NPSR1 (0.54) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL4753860 0.79 NPSR1 (0.54) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL3190948 0.79 NPSR1 (0.54) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL12933276 0.78 NPSR1 (0.48) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL1061977 0.76 NPSR1 (0.50) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL7424929 0.76 NPSR1 (0.50) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL7424926 0.76 NPSR1 (0.50) NPSR1ALOX15HCAR2CA12CA1
SCHEMBL8201155 0.76 NPSR1 (0.50) NPSR1ALOX15HCAR2CA12CA1

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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD NPSR1 1985/4885ALOX15 1200/4885HCAR2 896/4885

“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.