SCHEMBL14587788

SCHEMBL14587788

CN(C)C1CCN(c2ccc(CNC(=O)c3cc(NC(=O)c4cc(F)c(F)cc4Cl)[nH]n3)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.42
MAPK8 P45983 1/20 0.40
KLKB1 P03952 5/20 0.39
KLK1 P06870 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
WDR5 P61964 1/20 0.38
NTRK1 P04629 4/20 0.38
EZH2 Q15910 2/20 0.38
CXCR3 P49682 1/20 0.37
MELK Q14680 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
SCHEMBL14587664 0.91 PPARG (0.42) PPARGMAPK8KLKB1CACNA1GCACNA1H
SCHEMBL14587790 0.89 KLKB1 (0.44) PPARGKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL14587789 0.88 KLKB1 (0.48) PPARGKLKB1KLK1CACNA1GCACNA1H
SCHEMBL14587673 0.88 PPARG (0.42) PPARGKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL14587777 0.88 KLKB1 (0.44) PPARGKLKB1KLK1CACNA1GCACNA1H
SCHEMBL14587778 0.87 PPARG (0.52) PPARGKLKB1CACNA1GCACNA1HCACNA1I
SCHEMBL14587679 0.86 PPARG (0.42) PPARGMAPK8KLKB1CACNA1GCACNA1H
SCHEMBL14587660 0.81 PPARG (0.43) PPARGNTRK1
SCHEMBL14587697 0.80 PPARG (0.46) PPARGNTRK1
SCHEMBL14301499 0.80 PPARG (0.46) PPARGNTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL PPARG 706/4885MAPK8 1618/4885KLKB1 3656/4885

“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.