SCHEMBL5040029

SCHEMBL5040029

Cc1sc2cc(CCCCN3CCC(O)CC3)ccc2c1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 2/20 0.40
▸ SPHK1 Q9NYA1 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ ARG1 P05089 1/20 0.38
▸ ARG2 P78540 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ P2RY14 Q15391 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ LSS P48449 1/20 0.35
▸ MCHR1 Q99705 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
SCHEMBL5038845 0.97 FPR2 (0.41) HTR1ASPHK1FPR2HTR2CSIGMAR1
SCHEMBL5045753 0.89 HRH3 (0.46) HTR1AHTR2CSIGMAR1KCNH2HRH1
SCHEMBL5038256 0.86 CHKA (0.43) HTR1AHTR2CSIGMAR1KCNH2HRH3
SCHEMBL5035374 0.86 SIGMAR1 (0.44) HTR1AHTR2CSIGMAR1KCNH2HRH1
SCHEMBL5038596 0.85 SIGMAR1 (0.46) SIGMAR1KCNH2HRH1HRH3
SCHEMBL5043502 0.85 SIGMAR1 (0.45) SIGMAR1HRH1HRH3
SCHEMBL5035391 0.81 ESR1 (0.38) KCNH2P2RY14GAA
SCHEMBL5038605 0.80 ESR1 (0.39) KCNH2P2RY14GAA
SCHEMBL5039009 0.78 MAOB (0.41) HRH1P2RY14GAA
SCHEMBL7152282 0.76 MAPT (0.40) KCNH2CTSKGAA

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 11 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
CN-1261429-C Cholesterol lowering benzo [ b ] thiophenes and benzo [ d ] isothiazoles HOFFMANN LA ROCHE (CH) 2006-06-28 — — CN 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
CN-1471522-A Cholesterol lowering benzo [b] thiophenes and benzo[d] isothiazoles - 2004-01-28 — — CN disclosed
EP-1334094-A1 CHOLESTEROL LOWERING BENZO[B]THIOPHENES AND BENZO[D]ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-08-13 — — EP disclosed
US-20020086891-A1 Heteroaromate OSC inhibitors HOFFMAN-LA ROCHE INC. 2002-07-04 — — US disclosed
WO-2002036584-A1 CHOLESTEROL LOWERING BENZO`B! THIOPHENES AND BENZO`D! ISOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2002-05-10 — — 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 (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 HTR1A 3768/4885SPHK1 1518/4885FPR2 3552/4885
US-20070099985-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 HTR1A 3657/4885SPHK1 1940/4885FPR2 2422/4885
US-20020086891-A1 Heteroaromate OSC inhibitors LSS, CYP51A1, CYP46A1 HTR1A 3657/4885SPHK1 1940/4885FPR2 2422/4885

“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.

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