SCHEMBL4797209

SCHEMBL4797209

COCCN(C)CCCCCCOC1CCC(N(C)S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.49
HTR2C P28335 10/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LSS P48449 8/20 0.46
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL4797210 1.00 HTR2A (0.49) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL7209344 0.91 HTR2A (0.50) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL7209342 0.91 HTR2A (0.50) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4797952 0.90 LSS (0.46) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4797959 0.90 LSS (0.46) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL7205786 0.90 HTR2A (0.51) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL7205789 0.90 HTR2A (0.51) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4806576 0.89 PSEN1 (0.39) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4806586 0.89 PSEN1 (0.39) HTR2AHTR2CL3MBTL1LSSALDH1A1
SCHEMBL4801651 0.88 PSEN1 (0.41) HTR2AHTR2CL3MBTL1LSSALDH1A1

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 3086/4885L3MBTL1 1448/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HTR2A 3743/4885HTR2C 3086/4885L3MBTL1 1448/4885

“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.