SCHEMBL4806926

SCHEMBL4806926

CCCN(C)CCCCO[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LSS P48449 13/20 0.58
LIPC P11150 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
SLC6A9 P48067 2/20 0.37
SRD5A1 P18405 1/20 0.35
MCHR1 Q99705 1/20 0.35
BCHE P06276 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
SCHEMBL4806921 1.00 LSS (0.58) LSSLIPCLIPGSLC6A9SRD5A1
SCHEMBL7209420 0.96 LSS (0.58) LSSLIPCLIPGSLC6A9MCHR1
SCHEMBL7209424 0.96 LSS (0.58) LSSLIPCLIPGSLC6A9MCHR1
SCHEMBL4799874 0.90 LSS (0.57) LSSLIPCLIPGMCHR1
SCHEMBL4799882 0.90 LSS (0.57) LSSLIPCLIPGMCHR1
SCHEMBL4804327 0.89 LSS (0.55) LSSLIPCLIPGBCHE
SCHEMBL4804320 0.89 LSS (0.55) LSSLIPCLIPGBCHE
SCHEMBL4797566 0.88 LSS (0.77) LSS
SCHEMBL4797563 0.88 LSS (0.77) LSS
SCHEMBL4807826 0.87 LSS (0.75) LSSSLC6A9ACHE

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 2/4885LIPC 179/4885LIPG 144/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885LIPC 179/4885LIPG 144/4885

“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.