SCHEMBL5446152

SCHEMBL5446152

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
ABCC1 P33527 1/20 0.37
CRHBP P24387 2/20 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
SCHEMBL5457503 0.92 NR3C2 (0.48) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5442731 0.91 NR3C2 (0.39) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5449799 0.91 NR3C2 (0.40) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5455219 0.85 NR3C2 (0.42) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5442885 0.85 NR3C2 (0.38) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5451793 0.85 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAKDM4EHTT
SCHEMBL5451765 0.83 NR3C2 (0.46) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5449869 0.82 ALDH1A1 (0.37) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5454786 0.82 NR3C2 (0.44) NR3C2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL5450506 0.82 NR3C2 (0.38) NR3C2ALDH1A1HSD17B10LMNAKDM4E

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 1226/4885ALDH1A1 743/4885HSD17B10 247/4885

“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.