SCHEMBL4798771

SCHEMBL4798771

CN([C@H]1CC[C@H](OCCCCCCN2CCOCC2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.53
HTR2C P28335 4/20 0.53
LSS P48449 8/20 0.48
EPHX2 P34913 3/20 0.45
HTR7 P34969 2/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LIPG Q9Y5X9 1/20 0.41

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
SCHEMBL4798766 1.00 HTR2A (0.53) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4806695 0.99 HTR2A (0.54) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4806691 0.99 HTR2A (0.54) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4811792 0.96 HTR2A (0.55) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4811782 0.96 HTR2A (0.55) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4804665 0.92 HTR2A (0.57) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4804657 0.92 HTR2A (0.57) HTR2AHTR2CLSSEPHX2HTR7
SCHEMBL4805038 0.92 HTR2A (0.56) HTR2AHTR2CLSSHTR7HTR1A
SCHEMBL4805028 0.92 HTR2A (0.56) HTR2AHTR2CLSSHTR7HTR1A
SCHEMBL4797788 0.92 HTR2A (0.56) HTR2AHTR2CLSSHTR7HTR1A

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 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.