SCHEMBL13200864

SCHEMBL13200864

O=c1c2c(cnn1CCc1ccccc1)nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.58
DPP4 P27487 6/20 0.57
CHRM1 P11229 2/20 0.53
SOS1 Q07889 1/20 0.52
PIM1 P11309 1/20 0.51
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL2962532 0.92 HTR3A (0.51) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13217456 0.92 HTR3A (0.56) HTR3ADPP4CHRM1SOS1USP2
SCHEMBL8352589 0.91 HTR3A (0.61) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200873 0.91 DPP4 (0.56) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200880 0.88 DPP4 (0.56) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200746 0.87 DPP4 (0.68) HTR3ADPP4CHRM1
SCHEMBL13200868 0.87 HTR3A (0.54) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200858 0.86 DPP4 (0.63) HTR3ADPP4SOS1PIM1
SCHEMBL13200872 0.85 DPP4 (0.56) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200883 0.85 DPP4 (0.56) HTR3ADPP4CHRM1SOS1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
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 HTR3A 1879/4885DPP4 1/4885CHRM1 43/4885

“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.