SCHEMBL4802069

SCHEMBL4802069

CC1CCN(CCCCCCOC2CCC(N(C)S(=O)(=O)c3ccc(Br)cc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR2A P28223 10/20 0.44
HTR2C P28335 4/20 0.44
HRH3 Q9Y5N1 4/20 0.44
HTR7 P34969 7/20 0.43
HTR1A P08908 6/20 0.43
DRD2 P14416 6/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4802076 1.00 KDM4E (0.52) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4802373 0.92 HRH3 (0.52) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4802364 0.92 HRH3 (0.52) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4803496 0.92 HRH3 (0.49) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4803486 0.92 HRH3 (0.49) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4804051 0.91 HTR2A (0.44) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4804061 0.91 HTR2A (0.44) KDM4ERECQLTDP1HTR2AHTR2C
SCHEMBL4798262 0.91 HRH3 (0.53) HTR2AHTR2CHRH3HTR7HTR1A
SCHEMBL4798253 0.91 HRH3 (0.53) HTR2AHTR2CHRH3HTR7HTR1A
SCHEMBL4806070 0.90 HTR2A (0.43) KDM4ERECQLTDP1HTR2AHTR2C

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 KDM4E 4198/4885RECQL 3267/4885TDP1 1887/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 KDM4E 4198/4885RECQL 3267/4885TDP1 1887/4885

“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.