SCHEMBL4806384

SCHEMBL4806384

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.41
KDM4E B2RXH2 3/20 0.39
HTR2A P28223 3/20 0.39
HTR2C P28335 3/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL4806378 1.00 LSS (0.41) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL7211911 0.91 HTR2A (0.46) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL7211910 0.91 HTR2A (0.46) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL27596436 0.90 LSS (0.41) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL27596435 0.90 LSS (0.41) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL4803344 0.90 HTR2A (0.42) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL4803338 0.90 HTR2A (0.42) LSSKDM4EHTR2AHTR2CAPOBEC3A
SCHEMBL4798065 0.87 LSS (0.53) LSSHTR2AHTR2CLMNAHTT
SCHEMBL4798074 0.87 LSS (0.53) LSSHTR2AHTR2CLMNAHTT
SCHEMBL4802489 0.86 LSS (0.42) LSSKDM4EHTR2AHTR2CAPOBEC3A

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 8 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
CN-1468214-A Novel derivatives of aminocyclohexane - 2004-01-14 CN 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 LSS 2/4885KDM4E 4198/4885HTR2A 3743/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 LSS 2/4885KDM4E 4198/4885HTR2A 3743/4885

“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.