SCHEMBL4804531

SCHEMBL4804531

CCN(CCCO[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1)CCOC

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.61
BCHE P06276 3/20 0.36
PYGL P06737 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRM2 P08172 2/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL4804526 1.00 LSS (0.61) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4805045 0.97 LSS (0.62) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4805040 0.97 LSS (0.62) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4803636 0.96 LSS (0.64) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4797123 0.96 LSS (0.64) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4803643 0.96 LSS (0.64) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4797121 0.96 LSS (0.64) LSSBCHEPYGLOPRM1OPRK1
SCHEMBL4805806 0.93 LSS (0.63) LSSBCHECHRM2HRH3ACHE
SCHEMBL4805800 0.93 LSS (0.63) LSSBCHECHRM2HRH3ACHE
SCHEMBL4805052 0.91 LSS (0.73) LSSBCHEPYGLHRH3ACHE

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 7 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
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 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 (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 2/4885BCHE 736/4885PYGL 125/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885BCHE 736/4885PYGL 125/4885

“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.