SCHEMBL5039848

SCHEMBL5039848

CC(=O)N1CCN(CCCOc2ccc3c(-c4ccc(Br)cc4)nsc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.68
HRH2 P25021 2/20 0.52
HRH1 P35367 2/20 0.52
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
RAB9A P51151 1/20 0.44
DRD3 P35462 1/20 0.44
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42

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
SCHEMBL5040101 0.97 LSS (0.72) LSSHRH2HRH1CYP4F2CYP4A11
SCHEMBL5043337 0.88 LSS (0.75) LSSHRH2HRH1HRH3RAB9A
SCHEMBL5039805 0.86 LSS (0.78) LSSHRH1HRH3
SCHEMBL5045347 0.86 LSS (0.78) LSSHRH3
SCHEMBL5040053 0.85 LSS (0.80) LSSRAB9AALDH1A1
SCHEMBL5039853 0.85 LSS (0.76) LSSHRH1HRH3
SCHEMBL7149746 0.85 LSS (0.70) LSSHRH2HRH1RAB9APDK1
SCHEMBL5045410 0.84 LSS (0.94) LSSHRH2HRH1HRH3HTR2A
SCHEMBL5038468 0.83 LSS (0.83) LSSHRH3
SCHEMBL5038906 0.83 LSS (0.83) LSSHRH3

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
US-7449483-B2 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-11-11 US disclosed
US-20070099985-A1 Heteroaromate OSC inhibitors AEBI JOHANNES 2007-05-03 US disclosed
US-7173043-B2 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
US-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders AEBI JOHANNES 2005-12-01 US disclosed
US-6951879-B2 Substituted benzo(b)thiophenes or benzoisothiazoles which inhibit 2,3-oxidosqualene-lanosterol cyclase which is required for the biosynthesis of cholesterol, ergosterol and other sterols HOFFMANN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1334094-B1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES HOFFMANN LA ROCHE (CH) 2004-12-29 EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 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 (3 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-20050267200-A1 Enzyme inhibitors for cyclases as anticholesterol agents or cardiovascular disorders LSS, CYP51A1, CYP46A1 LSS 1/4885HRH2 3571/4885HRH1 4006/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885HRH2 2403/4885HRH1 3331/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 LSS 1/4885HRH2 2403/4885HRH1 3331/4885

“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.