SCHEMBL3900002

SCHEMBL3900002

O=C(OCCC(O)(CN(C(=O)CCl)c1ccccc1)c1ccc(F)c(F)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
PAX8 Q06710 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
KCNN4 O15554 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PLA2G7 Q13093 1/20 0.35
LMNA P02545 2/20 0.34
JAK2 O60674 2/20 0.34
RORC P51449 1/20 0.34
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
NR1I2 O75469 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 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
SCHEMBL3899975 0.89 LMNA (0.34) ALDH1A1KCNN4TDP1PLA2G7LMNA
SCHEMBL3899280 0.88 ALDH1A1 (0.38) NPC1RAB9AALDH1A1PAX8HTT
SCHEMBL3899855 0.86 CETP (0.36) NPC1RAB9AALDH1A1PAX8HTT
SCHEMBL3900035 0.85 ALDH1A1 (0.34) NPC1RAB9AALDH1A1PAX8HTT
SCHEMBL5182739 0.82 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PAX8HTT
SCHEMBL4630560 0.80 KCNN4 (0.38) NPC1RAB9AALDH1A1KCNN4TDP1
SCHEMBL3897559 0.80 KCNN4 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KCNN4
Hydrochloric Acid SCHEMBL8015834 0.79 KCNN4 (0.45) NPC1RAB9ASMN1; SMN2KCNN4TDP1
SCHEMBL3895810 0.76 NPC1 (0.40) NPC1RAB9AALDH1A1SMN1; SMN2KCNN4
SCHEMBL5182593 0.71 ALDH1A1 (0.45) NPC1RAB9AALDH1A1PAX8HTT

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 2712/4885ALDH1A1 503/4885

“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.