SCHEMBL4808380

SCHEMBL4808380

CN(C(=O)Oc1ccc(Cl)cc1)C1CCC(COCCCBr)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LSS P48449 11/20 0.57
ATF4 P18848 2/20 0.39
PTGIR P43119 4/20 0.38
PTGDR Q13258 2/20 0.38
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
ACHE P22303 1/20 0.38
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL4808386 1.00 LSS (0.57) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4797262 0.97 LSS (0.56) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4797258 0.97 LSS (0.56) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4802549 0.94 LSS (0.56) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4802556 0.94 LSS (0.56) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4803087 0.85 LSS (0.53) LSSATF4ACHELMNAL3MBTL1
SCHEMBL4803090 0.85 LSS (0.53) LSSATF4ACHELMNAL3MBTL1
SCHEMBL4805795 0.85 LSS (0.78) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4805787 0.85 LSS (0.78) LSSATF4PTGIRPTGDRPTGER1
SCHEMBL4803162 0.84 LSS (0.57) LSS

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 2/4885ATF4 1996/4885PTGIR 337/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885ATF4 1996/4885PTGIR 337/4885

“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.