SCHEMBL6709136

SCHEMBL6709136

CCOC(CCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HTT P42858 1/20 0.53
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ MAOB P27338 1/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ NAMPT P43490 2/20 0.44

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
SCHEMBL29798859 0.86 NPC1 (0.58) EPHX1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL18259815 0.81 NPC1 (0.52) EPHX1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL11719128 0.80 L3MBTL1 (0.62) SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL18259868 0.80 POLB (0.61) EPHX1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL12997232 0.76 HDAC3 (0.50) SMN1; SMN2HTTNPC1RAB9AKMT2A
SCHEMBL17978853 0.75 NPC1 (0.48) EPHX1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL6707918 0.75 NPC1 (0.51) SMN1; SMN2NPC1RAB9AMAPTMEN1
SCHEMBL12929323 0.74 CYP1A2 (0.50) SMN1; SMN2HTTNPC1RAB9AMAPT
SCHEMBL6359381 0.73 HDAC3 (0.71) SMN1; SMN2MEN1KMT2ACYP1A2TSHR
SCHEMBL4654717 0.73 EPHX1 (0.63) EPHX1SMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 — — US disclosed
US-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-15 — — US disclosed
EP-1351935-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 — — EP disclosed
EP-1351936-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2003-10-15 — — EP disclosed
WO-2002055496-A1 ARYL PIPERIDINE AND PIPERAZINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 — — WO disclosed
WO-2002055495-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION GLAXO GROUP LIMITED (GB) 2002-07-18 — — 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 (2 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-20040072865-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression NR1H2, NR1H3, NR1H4 EPHX1 2564/4885SMN1; SMN2 4601/4885HTT 2191/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 EPHX1 3448/4885SMN1; SMN2 4612/4885HTT 2112/4885

“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.

Send feedback