SCHEMBL4807241

SCHEMBL4807241

CN([C@H]1CC[C@H](CCCCN2CCCCC2)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 9/20 0.64
HTR2A P28223 6/20 0.61
HTR2C P28335 5/20 0.61
HRH3 Q9Y5N1 1/20 0.51
HTR7 P34969 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45

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
SCHEMBL4807237 1.00 LSS (0.64) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL4801540 0.88 HTR2A (0.56) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL4801543 0.88 HTR2A (0.56) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL6020138 0.88 LSS (0.52) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL6020133 0.88 LSS (0.52) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL6018760 0.86 LSS (0.53) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL6018767 0.86 LSS (0.53) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL4806224 0.85 HTR2A (0.55) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL4806231 0.85 HTR2A (0.55) LSSHTR2AHTR2CHRH3HTR7
SCHEMBL4803908 0.85 HTR2A (0.57) LSSHTR2AHTR2CHRH3HTR7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311475-B1 AMINOCYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-08-06 EP claimed
US-7335687-B2 2,3-Oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2008-02-26 US claimed
US-20050176766-A1 2,3-Oxidosqualene-lanosterol cyclase inhibitors ACKERMANN JEAN (CH) 2005-08-11 US claimed
US-6858651-B2 2,3-oxidosqualene-lanosterol cyclase inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-02-22 US claimed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US claimed
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 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.