SCHEMBL29936554

SCHEMBL29936554

FC(F)(F)c1cccc(C2CCN(CCOc3ccc(Oc4nc5cccnc5s4)cc3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 0.50
DRD2 P14416 2/20 0.48
DRD4 P21917 1/20 0.46
GRM2 Q14416 1/20 0.46
KCNH2 Q12809 3/20 0.44
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1887075 0.84 HRH3 (0.58) LTA4HKCNH2HRH3
SCHEMBL1889012 0.82 LTA4H (0.60) LTA4HDRD2
SCHEMBL1888687 0.81 LTA4H (0.62) LTA4HDRD2DRD4KCNH2
SCHEMBL1895734 0.78 LTA4H (0.72) LTA4HKCNH2
SCHEMBL9311044 0.78 DRD2 (0.66) LTA4HDRD2DRD4GRM2HRH3
SCHEMBL1889081 0.77 LTA4H (0.65) LTA4HKCNH2
SCHEMBL1887825 0.77 LTA4H (0.55) LTA4HDRD2DRD4GRM2KCNH2
SCHEMBL1889206 0.76 LTA4H (0.78) LTA4HKCNH2
SCHEMBL15282318 0.76 LTA4H (0.58) LTA4HKCNH2
SCHEMBL2168470 0.74 LTA4H (0.79) LTA4HKCNH2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase ALKAHEST, INC. 2022-07-21 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-20220226304-A1 Treatment of Aging-Associated Disease with Modulators of Leukotriene A4 Hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885DRD2 3887/4885DRD4 2081/4885

“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.