SCHEMBL4805864

SCHEMBL4805864

C=CCN(C)CCCCCCO[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.47
EPHX1 P07099 1/20 0.43
DPP4 P27487 3/20 0.41
DPP7 Q9UHL4 3/20 0.41
KCNH2 Q12809 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
F13A1 P00488 1/20 0.41
TGM2 P21980 1/20 0.41
TGM1 P22735 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 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
SCHEMBL4805861 1.00 LSS (0.50) LSSALDH1A1GAATSHREPHX1
SCHEMBL7210420 0.88 ALDH1A1 (0.52) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL7210414 0.88 ALDH1A1 (0.52) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4804439 0.87 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4804435 0.87 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4803762 0.87 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4803753 0.87 ALDH1A1 (0.56) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4804176 0.85 LSS (0.52) LSS
SCHEMBL4804179 0.85 LSS (0.52) LSS
SCHEMBL4802753 0.83 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP disclosed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US disclosed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US disclosed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 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 (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-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ALDH1A1 2260/4885GAA 824/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ALDH1A1 2260/4885GAA 824/4885

“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.