SCHEMBL4804897

SCHEMBL4804897

CC(CCCO[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1)N(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.51
HTR2C P28335 5/20 0.51
LSS P48449 9/20 0.50
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR7 P34969 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
UCHL1 P09936 1/20 0.37
USP30 Q70CQ3 1/20 0.37

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
SCHEMBL4804891 1.00 HTR2A (0.51) HTR2AHTR2CLSSTBXA2RPTGDR
SCHEMBL4801874 0.85 LSS (0.56) HTR2AHTR2CLSSTBXA2RPTGDR
SCHEMBL4801876 0.85 LSS (0.56) HTR2AHTR2CLSSTBXA2RPTGDR
SCHEMBL4803272 0.84 LSS (0.57) HTR2AHTR2CLSSTBXA2RPTGDR
SCHEMBL4803265 0.84 LSS (0.57) HTR2AHTR2CLSSTBXA2RPTGDR
SCHEMBL4802056 0.84 HTR2A (0.51) HTR2AHTR2CLSSHTR1ADRD2
SCHEMBL4802051 0.84 HTR2A (0.51) HTR2AHTR2CLSSHTR1ADRD2
SCHEMBL4799625 0.84 HTR2A (0.52) HTR2AHTR2CLSSDPP4DPP7
SCHEMBL4799627 0.84 HTR2A (0.52) HTR2AHTR2CLSSDPP4DPP7
SCHEMBL4802908 0.84 LSS (0.58) HTR2AHTR2CLSSTBXA2RPTGDR

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 8 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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN 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 HTR2A 3743/4885HTR2C 3086/4885LSS 2/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HTR2A 3743/4885HTR2C 3086/4885LSS 2/4885

“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.