SCHEMBL4798908

SCHEMBL4798908

CCCN(C)CC#CC1CCC(N(C)S(=O)(=O)c2ccc(N)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.44
HTR2C P28335 13/20 0.44
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.39
LSS P48449 3/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL4798912 1.00 HTR2A (0.44) HTR2AHTR2CDPP4DPP8DPP9
SCHEMBL4807658 0.89 HTR2A (0.53) HTR2AHTR2CL3MBTL1LSS
SCHEMBL4807662 0.89 HTR2A (0.53) HTR2AHTR2CL3MBTL1LSS
SCHEMBL4803270 0.87 HTR2A (0.55) HTR2AHTR2CL3MBTL1LSS
SCHEMBL4803262 0.87 HTR2A (0.55) HTR2AHTR2CL3MBTL1LSS
SCHEMBL4798688 0.84 L3MBTL1 (0.57) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL4798681 0.84 L3MBTL1 (0.57) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL4801123 0.78 HTR2A (0.54) HTR2AHTR2CLSS
SCHEMBL27895777 0.78 ALDH1A1 (0.57) HTR2AHTR2CDPP4DPP8DPP9
SCHEMBL4801118 0.78 HTR2A (0.54) HTR2AHTR2CLSS

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 3086/4885DPP4 1969/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 HTR2A 3743/4885HTR2C 3086/4885DPP4 1969/4885

“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.