SCHEMBL1797153

SCHEMBL1797153

O=C(O)c1ccc(OCCCF)cc1.[LiH]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
TSHR P16473 2/20 0.62
TP53 P04637 1/20 0.62
PLA2G4B P0C869 6/20 0.60
ALDH1A1 P00352 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPK1 P28482 2/20 0.57
RARB P10826 5/20 0.57
HTT P42858 2/20 0.57
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PLA2G4A P47712 1/20 0.54
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL12615430 0.98 PKM (0.67) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL28688334 0.93 TP53 (0.67) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL1879154 0.89 PKM (0.69) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL23484820 0.86 RARB (0.72) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL1952122 0.86 TP53 (0.79) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL118037 0.86 PKM (0.77) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL2181009 0.84 TP53 (0.82) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL14097198 0.84 TP53 (0.82) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL7911508 0.84 TP53 (0.82) PKMTSHRTP53PLA2G4BALDH1A1
SCHEMBL209561 0.84 TP53 (0.82) PKMTSHRTP53PLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951826-B2 Obesity; cognition activators; narcolepsy ELI LILLY AND COMPANY (US) 2011-05-31 US disclosed
EP-1861360-B1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2009-12-02 EP disclosed
US-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
EP-1861360-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-12-05 EP disclosed
WO-2006101808-A1 PYRROLIDINE DERIVATIVES AS HISTAMINE H3 RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-09-28 WO 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-20080207732-A1 Pyrrolidine Derivatives as Histamine H3 Receptor Antagonists HRH3, HCRTR1, HRH4 PKM 1406/4885TSHR 464/4885TP53 4281/4885

“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.