SCHEMBL4803732

SCHEMBL4803732

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.43
HTR2C P28335 8/20 0.43
LSS P48449 7/20 0.42
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.38
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 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
SCHEMBL4803725 1.00 HTR2A (0.43) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4802285 0.90 KMT2A (0.45) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4802280 0.90 KMT2A (0.45) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4806498 0.89 LSS (0.56) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4806493 0.89 LSS (0.56) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL7204693 0.88 LSS (0.48) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL7204692 0.88 LSS (0.48) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4806697 0.88 LSS (0.57) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4806692 0.88 LSS (0.57) HTR2AHTR2CLSSALDH1A1L3MBTL1
SCHEMBL4807253 0.87 LSS (0.41) HTR2AHTR2CLSSALDH1A1L3MBTL1

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.