SCHEMBL4805052

SCHEMBL4805052

CCN(CCO)CCCOC1CCC(N(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.73
HRH3 Q9Y5N1 2/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
PYGL P06737 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 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
SCHEMBL4805059 1.00 LSS (0.73) LSSHRH3BCHEACHEPYGL
SCHEMBL4805050 0.97 LSS (0.75) LSSBCHEACHEPYGL
SCHEMBL4805055 0.97 LSS (0.75) LSSBCHEACHEPYGL
SCHEMBL4804634 0.96 LSS (0.76) LSS
SCHEMBL4797518 0.96 LSS (0.76) LSS
SCHEMBL4797516 0.96 LSS (0.76) LSS
SCHEMBL4804631 0.96 LSS (0.76) LSS
SCHEMBL4805800 0.94 LSS (0.63) LSSHRH3BCHEACHE
SCHEMBL4805806 0.94 LSS (0.63) LSSHRH3BCHEACHE
SCHEMBL4804531 0.91 LSS (0.61) LSSHRH3BCHEACHEPYGL

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 2/4885HRH3 3837/4885BCHE 736/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885HRH3 3837/4885BCHE 736/4885

“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.