SCHEMBL5113084

SCHEMBL5113084

ON1CCN(Cc2ccc(Oc3ccccn3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.53
PTGS2 P35354 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
HRH3 Q9Y5N1 2/20 0.46
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
FAAH O00519 3/20 0.45
MGLL Q99685 1/20 0.45
TSHR P16473 1/20 0.44
CHRM5 P08912 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
SCHEMBL27632627 0.85 FAAH (0.55) LTA4HPTGS2ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5113077 0.82 LTA4H (0.51) LTA4HPTGS2NPC1RAB9AMAPT
SCHEMBL5106952 0.81 ALDH1A1 (0.60) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL27613685 0.80 LTA4H (0.45) LTA4HPTGS2NPC1RAB9AMAPT
SCHEMBL7871391 0.75 CYP2D6 (0.50) LTA4HPTGS2HRH3MEN1KMT2A
SCHEMBL3543339 0.75 LTA4H (0.58) LTA4HPTGS2NPC1ALDH1A1MEN1
SCHEMBL646795 0.75 LTA4H (0.50) LTA4HPTGS2NPC1HRH3ALDH1A1
SCHEMBL7467030 0.74 DNMT1 (0.53) SIGMAR1
SCHEMBL11143982 0.73 PTGS2 (0.57) LTA4HPTGS2NPC1RAB9AHRH3
Pyridine SCHEMBL28111068 0.73 SIGMAR1 (0.62) ALDH1A1KDM4ESIGMAR1MGLLTSHR

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-7365082-B2 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines BAYER CROPSCIENCE AG (DE) 2008-04-29 US disclosed
EP-1572668-A4 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORP (US) 2006-12-06 EP disclosed
US-20060166962-A1 N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines FMC CORPORATION 2006-07-27 US disclosed
EP-1572668-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2005-09-14 EP disclosed
WO-2004060865-A2 N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES FMC CORPORATION (US) 2004-07-22 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-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.