SCHEMBL3902832

SCHEMBL3902832

O=C(OCCC(O)(CNc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPK1 P28482 2/20 0.36
PNLIP P16233 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
S1PR5 Q9H228 1/20 0.35
EPHX1 P07099 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL3907379 0.95 NPC1 (0.40) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL3910148 0.90 NPC1 (0.40) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL4630752 0.82 TDP1 (0.38) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL3895810 0.82 NPC1 (0.40) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL4630209 0.81 TDP1 (0.37) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL3909047 0.81 TDP1 (0.43) NPC1RAB9ATDP1KMT2AMEN1
Hydrochloric Acid SCHEMBL6949561 0.80 TDP1 (0.42) NPC1RAB9ATDP1SMN1; SMN2MAPK1
SCHEMBL3900035 0.77 ALDH1A1 (0.34) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL4631672 0.76 TDP1 (0.42) NPC1RAB9ATDP1KMT2AMEN1
SCHEMBL15190411 0.74 MEN1 (0.40) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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-7521449-B2 4-arylmorpholin-3-one derivatives, their preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2009-04-21 US disclosed
US-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-06-21 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-20070142349-A1 4-ARYLMORPHOLIN-3-ONE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC USE THEREOF ADRB3, ADRA2C, OPRK1 NPC1 625/4885RAB9A 2712/4885TDP1 3447/4885

“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.