SCHEMBL13200868

SCHEMBL13200868

O=c1c2c(cnn1CCOc1ccccc1)nc(N1CCNCC1)n2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.54
DPP4 P27487 5/20 0.52
HTR2C P28335 1/20 0.51
SOS1 Q07889 1/20 0.50
CHRM1 P11229 2/20 0.49
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
PIM1 P11309 1/20 0.47

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 SCHEMBL2959529 0.93 HTR3A (0.48) HTR3ADPP4HTR2CSOS1CHRM1
SCHEMBL13217574 0.90 HTR2C (0.53) HTR3ADPP4HTR2CCHRM1NPC1
SCHEMBL13200880 0.89 DPP4 (0.56) HTR3ADPP4SOS1CHRM1PIM1
SCHEMBL13200864 0.87 HTR3A (0.58) HTR3ADPP4SOS1CHRM1PIM1
SCHEMBL8352589 0.87 HTR3A (0.61) HTR3ADPP4SOS1CHRM1PIM1
SCHEMBL13200743 0.86 DPP4 (0.65) DPP4HTR2CCHRM1
SCHEMBL13200873 0.86 DPP4 (0.56) HTR3ADPP4SOS1CHRM1PIM1
SCHEMBL2963767 0.84 DPP4 (0.48) HTR3ADPP4SOS1CHRM1PIM1
Trifluoroacetic Acid SCHEMBL2958554 0.83 DPP4 (0.49) HTR3ADPP4SOS1CHRM1PIM1
SCHEMBL13200858 0.81 DPP4 (0.63) HTR3ADPP4SOS1PIM1

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 1/4885HTR2C 1288/4885

“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.