SCHEMBL5448669

SCHEMBL5448669

COC(=O)CC1=C(C(=O)OC)C(c2ccc(C)cc2)C(C#N)=C(CC(C)C)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CACNA1F O60840 4/20 0.39
CACNA1D Q01668 4/20 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
SCHEMBL4112688 0.93 ALDH1A1 (0.43) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4127114 0.90 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5463708 0.89 CACNA1F (0.41) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5450116 0.88 ALDH1A1 (0.40) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL4106662 0.87 CACNA1F (0.48) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5449799 0.81 NR3C2 (0.40) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5454384 0.80 ALDH1A1 (0.39) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5447133 0.79 CACNA1F (0.60) KDM4EALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL5445083 0.79 CACNA1F (0.58) KDM4EALDH1A1L3MBTL1HSD17B10NPSR1
SCHEMBL5443406 0.78 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHTTSMN1; SMN2

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 KDM4E 569/4885ALDH1A1 743/4885MAPT 4676/4885

“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.