SCHEMBL5452336

SCHEMBL5452336

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.45
CACNA1F O60840 2/20 0.39
CACNA1D Q01668 2/20 0.39
CACNA1S Q13698 2/20 0.39
CACNA1C Q13936 2/20 0.39
ACHE P22303 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
ALOX15 P16050 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5451765 0.90 NR3C2 (0.46) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5454786 0.88 NR3C2 (0.44) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5457503 0.88 NR3C2 (0.48) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5452270 0.87 ALDH1A1 (0.40) CACNA1FCACNA1DCACNA1SCACNA1CGPBAR1
SCHEMBL5452965 0.86 ALDH1A1 (0.51) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5449799 0.83 NR3C2 (0.40) NR3C2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5455770 0.82 MAPT (0.40) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5450506 0.80 NR3C2 (0.38) NR3C2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5446152 0.80 NR3C2 (0.41) NR3C2CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL5447133 0.79 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CKDM4E

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 1 patent. 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

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 NR3C2 1226/4885CACNA1F 2405/4885CACNA1D 2524/4885

“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.