SCHEMBL13969641

SCHEMBL13969641

CCn1c(N2CCNCC2)nc2cc(C(=O)OC)n(CC(=O)c3cccc(C#N)c3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
DPP4 P27487 6/20 0.42
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CBX7 O95931 1/20 0.37
CDYL2 Q8N8U2 1/20 0.37
CDY1; CDY1B Q9Y6F8 1/20 0.37
GSK3B P49841 1/20 0.37
ADORA2A P29274 3/20 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
SCHEMBL13201022 0.91 DPP4 (0.54) DPP4KCNH2
SCHEMBL13969640 0.90 DPP4 (0.43) HTR2CDPP4KCNH2MAPK1ALDH1A1
SCHEMBL13217914 0.89 LMNA (0.44) ALDH1A1SMN1; SMN2HIF1ALMNAMAPT
SCHEMBL13217916 0.84 DPP4 (0.41) HTR2CDPP4KCNH2MAPK1ALDH1A1
SCHEMBL13947795 0.81 DPP4 (0.55) DPP4KCNH2
SCHEMBL13201021 0.81 DPP4 (0.51) DPP4LMNAMAPT
Trifluoroacetic Acid SCHEMBL2962441 0.77 DPP4 (0.47) DPP4LMNAMAPT
SCHEMBL13217575 0.74 MAPK1 (0.50) DPP4KCNH2MAPK1ALDH1A1CYP1A2
SCHEMBL13217577 0.72 DPP4 (0.48) HTR2CDPP4ALDH1A1SMN1; SMN2LMNA
SCHEMBL13217920 0.70 DPP4 (0.47) DPP4CYP3A4

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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HTR2C 1288/4885DPP4 1/4885KCNH2 106/4885

“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.