SCHEMBL13200873

SCHEMBL13200873

O=c1c2c(cnn1CCO)nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.56
HTR3A P46098 2/20 0.56
CHRM1 P11229 2/20 0.52
SOS1 Q07889 1/20 0.51
PIM1 P11309 1/20 0.50

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 SCHEMBL2963765 0.93 DPP4 (0.50) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL13200864 0.91 HTR3A (0.58) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL8352589 0.90 HTR3A (0.61) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL13200880 0.87 DPP4 (0.56) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL13200868 0.86 HTR3A (0.54) DPP4HTR3ACHRM1SOS1PIM1
Trifluoroacetic Acid SCHEMBL2962532 0.86 HTR3A (0.51) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL13200861 0.85 DPP4 (0.56) DPP4HTR3ACHRM1SOS1PIM1
SCHEMBL13217455 0.85 DPP4 (0.47) DPP4HTR3ACHRM1PIM1
SCHEMBL13200858 0.85 DPP4 (0.63) DPP4HTR3ASOS1PIM1
SCHEMBL13200872 0.84 DPP4 (0.56) DPP4HTR3ACHRM1SOS1PIM1

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 DPP4 1/4885HTR3A 1879/4885CHRM1 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.