SCHEMBL4809990

SCHEMBL4809990

CCN(CCO)CCC#CC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LSS P48449 15/20 0.71
BCHE P06276 3/20 0.37
CHRM2 P08172 2/20 0.35
SCN9A Q15858 1/20 0.34
ACHE P22303 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
SCHEMBL4809994 1.00 LSS (0.71) LSSBCHECHRM2SCN9AACHE
SCHEMBL4803931 0.89 LSS (0.89) LSSBCHEACHE
SCHEMBL4803926 0.89 LSS (0.89) LSSBCHEACHE
SCHEMBL4805064 0.89 LSS (0.60) LSSACHE
SCHEMBL4805057 0.89 LSS (0.60) LSSACHE
SCHEMBL4804745 0.87 LSS (0.61) LSSACHE
SCHEMBL4804741 0.87 LSS (0.61) LSSACHE
SCHEMBL4799121 0.86 LSS (0.70) LSSACHE
SCHEMBL4799116 0.86 LSS (0.70) LSSACHE
SCHEMBL4803253 0.83 LSS (1.00) LSSACHE

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 2/4885BCHE 736/4885CHRM2 2975/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885BCHE 736/4885CHRM2 2975/4885

“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.