SCHEMBL5113077

SCHEMBL5113077

O=[N+]1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.51
PTGS2 P35354 1/20 0.51
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM5 P08912 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
FAAH O00519 2/20 0.41
DRD4 P21917 1/20 0.41
MGLL Q99685 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
OPRM1 P35372 1/20 0.40
P2RX3 P56373 3/20 0.40

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
SCHEMBL5113084 0.82 LTA4H (0.53) LTA4HPTGS2NPC1MAPTHTT
SCHEMBL27632627 0.80 FAAH (0.55) LTA4HPTGS2FAAHMGLL
SCHEMBL5106952 0.76 ALDH1A1 (0.60) NPC1MAPTHTTRAB9AFAAH
SCHEMBL27613685 0.76 LTA4H (0.45) LTA4HPTGS2NPC1MAPTHTT
SCHEMBL4481635 0.74 SIGMAR1 (0.65) DRD4SIGMAR1
SCHEMBL5024073 0.73 PTGS2 (0.50) LTA4HPTGS2NPC1MAPTRAB9A
SCHEMBL646795 0.73 LTA4H (0.50) LTA4HPTGS2NPC1CHRM5HRH3
SCHEMBL14577578 0.72 CHRM5 (0.59) LTA4HPTGS2CHRM5
SCHEMBL11143982 0.72 PTGS2 (0.57) LTA4HPTGS2NPC1RAB9AHRH3
SCHEMBL19206080 0.71 LTA4H (0.56) LTA4HPTGS2HTTFAAHMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365082-B2 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines BAYER CROPSCIENCE AG (DE) 2008-04-29 US disclosed
US-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORPORATION 2006-07-27 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-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines DDT, DRD4, DRD1 LTA4H 2810/4885PTGS2 3613/4885NPC1 972/4885

“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.