SCHEMBL4808409

SCHEMBL4808409

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

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.60
HTR2A P28223 5/20 0.53
HTR2C P28335 4/20 0.53
CACNA1H O95180 2/20 0.42
CACNA1B Q00975 2/20 0.42
TBXA2R P21731 1/20 0.38
PTGDR Q13258 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38

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
SCHEMBL4808402 1.00 LSS (0.60) LSSHTR2AHTR2CCACNA1HCACNA1B
SCHEMBL4802908 0.99 LSS (0.58) LSSHTR2AHTR2CCACNA1HCACNA1B
SCHEMBL4802902 0.99 LSS (0.58) LSSHTR2AHTR2CCACNA1HCACNA1B
SCHEMBL4803265 0.91 LSS (0.57) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804540 0.91 LSS (0.74) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4803272 0.91 LSS (0.57) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL4804550 0.91 LSS (0.74) LSSHTR2AHTR2CTBXA2RPTGDR
SCHEMBL7205049 0.90 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL4800512 0.90 LSS (0.62) LSSHTR2AHTR2C
SCHEMBL7205048 0.90 LSS (0.62) LSSHTR2AHTR2C

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 LSS 2/4885HTR2A 3743/4885HTR2C 3086/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885HTR2A 3743/4885HTR2C 3086/4885

“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.