SCHEMBL6448066

SCHEMBL6448066

C=CCN(C)CCCCCCOC1CCN(S(=O)(=O)NCc2ccc(F)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.62
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAB9A P51151 1/20 0.33

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
SCHEMBL6450972 0.91 LSS (0.52) LSSALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4805181 0.84 LSS (0.55) LSSMEN1KMT2A
SCHEMBL6450201 0.82 LSS (0.51) LSSALDH1A1MEN1KMT2ACYP2C19
SCHEMBL6446734 0.81 LSS (0.48) LSSMEN1KMT2ARAB9A
SCHEMBL6449255 0.80 LSS (0.49) LSSMEN1KMT2ARAB9A
SCHEMBL6451232 0.79 LSS (0.76) LSSALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6450142 0.79 LSS (0.52) LSSMEN1KMT2A
SCHEMBL27579081 0.77 LSS (0.56) LSSMEN1KMT2A
SCHEMBL17358778 0.77 LSS (1.00) LSSALDH1A1MEN1KMT2ALMNA
SCHEMBL6449585 0.76 LSS (0.50) LSSALDH1A1MEN1KMT2ARAB9A

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-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 2/4885ALDH1A1 1343/4885L3MBTL1 2291/4885

“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.