SCHEMBL4811792

SCHEMBL4811792

CN([C@H]1CC[C@H](OCCCN2CCOCC2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.55
HTR2C P28335 4/20 0.55
EPHX2 P34913 3/20 0.49
LSS P48449 7/20 0.47
HRH3 Q9Y5N1 1/20 0.45
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL4811782 1.00 HTR2A (0.55) HTR2AHTR2CEPHX2LSSHRH3
SCHEMBL4806691 0.97 HTR2A (0.54) HTR2AHTR2CEPHX2LSSHRH3
SCHEMBL4806695 0.97 HTR2A (0.54) HTR2AHTR2CEPHX2LSSHRH3
SCHEMBL4798766 0.96 HTR2A (0.53) HTR2AHTR2CEPHX2LSSHRH3
SCHEMBL4798771 0.96 HTR2A (0.53) HTR2AHTR2CEPHX2LSSHRH3
SCHEMBL4804665 0.94 HTR2A (0.57) HTR2AHTR2CEPHX2LSSHTR7
SCHEMBL4804657 0.94 HTR2A (0.57) HTR2AHTR2CEPHX2LSSHTR7
SCHEMBL4807440 0.91 HTR2A (0.58) HTR2AHTR2CLSSHRH3HTR7
SCHEMBL4807429 0.91 HTR2A (0.58) HTR2AHTR2CLSSHRH3HTR7
SCHEMBL4805028 0.87 HTR2A (0.56) HTR2AHTR2CLSSHRH3HTR7

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 HTR2A 3743/4885HTR2C 3086/4885EPHX2 711/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HTR2A 3743/4885HTR2C 3086/4885EPHX2 711/4885

“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.