SCHEMBL4804136

SCHEMBL4804136

CN(C(=O)Oc1ccc(Cl)cc1)[C@H]1CC[C@H](OCCCCCCBr)CC1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 12/20 0.54
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
PYGL P06737 1/20 0.36

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
SCHEMBL4797445 1.00 LSS (0.54) LSSLMNAL3MBTL1ACHEMAPT
SCHEMBL4797441 1.00 LSS (0.54) LSSLMNAL3MBTL1ACHEMAPT
SCHEMBL4804131 1.00 LSS (0.54) LSSLMNAL3MBTL1ACHEMAPT
SCHEMBL4806259 0.99 LSS (0.52) LSSLMNAL3MBTL1ACHEMAPT
SCHEMBL4806263 0.99 LSS (0.52) LSSLMNAL3MBTL1ACHEMAPT
SCHEMBL4803090 0.96 LSS (0.53) LSSLMNAL3MBTL1ACHEPYGL
SCHEMBL4803087 0.96 LSS (0.53) LSSLMNAL3MBTL1ACHEPYGL
SCHEMBL4806082 0.89 LSS (0.56) LSSL3MBTL1HRH3
SCHEMBL4806086 0.89 LSS (0.56) LSSL3MBTL1HRH3
SCHEMBL4805191 0.89 LSS (0.56) LSSL3MBTL1HRH3

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 2/4885LMNA 2735/4885L3MBTL1 1448/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885LMNA 2735/4885L3MBTL1 1448/4885

“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.