SCHEMBL6450962

SCHEMBL6450962

C=CCN(C)CCCCCCOC1CCN(C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LSS P48449 6/20 0.60
NAMPT P43490 4/20 0.48
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 2/20 0.40

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
SCHEMBL6450225 0.83 LSS (0.62) LSSNPC1RAB9A
SCHEMBL6450201 0.82 LSS (0.51) LSSALDH1A1
SCHEMBL6455119 0.81 LSS (0.65) LSSNPC1RAB9A
SCHEMBL6451133 0.79 LSS (0.67) LSS
SCHEMBL6450233 0.79 LSS (0.58) LSSALDH1A1
SCHEMBL6447893 0.79 LSS (0.58) LSSNAMPTFAAH
SCHEMBL6448959 0.79 LSS (0.62) LSSNPC1RAB9AFAAH
SCHEMBL6446362 0.77 LSS (0.65) LSS
SCHEMBL4809529 0.77 LSS (0.45) LSS
SCHEMBL6450972 0.76 LSS (0.52) LSSALDH1A1

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 2/4885NAMPT 1000/4885ALDH1A1 1343/4885

“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.