SCHEMBL2965735

SCHEMBL2965735

O=C(Cn1ncc2nc(N3CCNCC3)n(Cc3ccccc3)c2c1=O)OC(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 2/20 0.47
DPP4 P27487 5/20 0.46
CHRM1 P11229 2/20 0.46
SOS1 Q07889 1/20 0.43
PIM1 P11309 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL2965733 0.88 HTR3A (0.51) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL2963767 0.86 DPP4 (0.48) HTR3ADPP4CHRM1SOS1PIM1
Trifluoroacetic Acid SCHEMBL2952470 0.85 DPP4 (0.52) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200876 0.85 LMNA (0.54) HTR3ADPP4CHRM1SOS1NPC1
SCHEMBL2964814 0.84 DPP4 (0.55) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2963765 0.83 DPP4 (0.50) HTR3ADPP4CHRM1SOS1PIM1
Trifluoroacetic Acid SCHEMBL2962532 0.83 HTR3A (0.51) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL13200861 0.83 DPP4 (0.56) HTR3ADPP4CHRM1SOS1PIM1
SCHEMBL8352589 0.82 HTR3A (0.61) HTR3ADPP4CHRM1SOS1PIM1
Trifluoroacetic Acid SCHEMBL2958554 0.82 DPP4 (0.49) 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 6 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-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (3 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-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 HTR3A 2063/4885DPP4 4422/4885CHRM1 19/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 HTR3A 1879/4885DPP4 1/4885CHRM1 43/4885
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.