SCHEMBL6450225

SCHEMBL6450225

C=CCN(C)CCCCCCOC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
CYP2C19 P33261 1/20 0.47
TMEM97 Q5BJF2 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
HTT P42858 1/20 0.43
F13A1 P00488 2/20 0.43
TGM2 P21980 2/20 0.43
TGM1 P22735 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GRIN2B Q13224 2/20 0.41
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
CTSG P08311 1/20 0.41
BCHE P06276 1/20 0.41

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
SCHEMBL6455119 0.87 LSS (0.65) LSSNPC1RAB9A
SCHEMBL6450223 0.85 LSS (0.64) LSSSMN1; SMN2HTT
SCHEMBL6448079 0.84 LSS (0.60) LSS
SCHEMBL6450248 0.84 LSS (0.63) LSSF2
SCHEMBL4804179 0.84 LSS (0.52) LSSSIGMAR1
SCHEMBL4804176 0.84 LSS (0.52) LSSSIGMAR1
SCHEMBL6450962 0.83 LSS (0.60) LSSNPC1RAB9A
SCHEMBL4805864 0.82 LSS (0.50) LSSF13A1TGM2TGM1
SCHEMBL4805861 0.82 LSS (0.50) LSSF13A1TGM2TGM1
SCHEMBL4802760 0.82 LSS (0.50) LSS

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
CN-1231466-C New piperidine derivatives HOFFMANN LA ROCHE (CH) 2005-12-14 CN disclosed
US-6964974-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-11-15 US disclosed
CN-1468220-A New piperidine derivatives - 2004-01-14 CN disclosed
EP-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
US-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. 2002-06-06 US disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 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-20020068753-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885SMN1; SMN2 4781/4885NPC1 57/4885

“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.