SCHEMBL5447133

SCHEMBL5447133

COC(=O)C1=C(C)NC(CC(C)C)=C(C#N)C1c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 4/20 0.60
CACNA1D Q01668 4/20 0.60
CACNA1S Q13698 4/20 0.60
CACNA1C Q13936 4/20 0.60
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 6/20 0.47
KDM4E B2RXH2 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 4/20 0.46
HPGD P15428 3/20 0.46
GAA P10253 3/20 0.46
ALOX15 P16050 2/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL4106662 0.91 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5445083 0.89 CACNA1F (0.58) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5443406 0.88 ALDH1A1 (0.49) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5442459 0.84 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5454285 0.84 ALDH1A1 (0.52) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL4112688 0.84 ALDH1A1 (0.43) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5452965 0.83 ALDH1A1 (0.51) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5463708 0.82 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL4127114 0.81 ALDH1A1 (0.41) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1
SCHEMBL5451765 0.80 NR3C2 (0.46) CACNA1FCACNA1DCACNA1SCACNA1CALDH1A1

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 CACNA1F 2405/4885CACNA1D 2524/4885CACNA1S 1988/4885

“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.