SCHEMBL3580595

SCHEMBL3580595

CCOc1cc(CN2CCC(Nc3nc4ccc(Cl)cc4o3)CC2)cc(OCC)c1F

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.81
HRH1 P35367 4/20 0.68
KCNH2 Q12809 1/20 0.67
HTR2B P41595 2/20 0.66
SSTR1 P30872 1/20 0.61

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
SCHEMBL3575446 0.93 SSTR5 (0.79) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL3577959 0.89 SSTR5 (1.00) SSTR5HRH1HTR2BSSTR1
SCHEMBL3569421 0.89 SSTR5 (0.85) SSTR5HRH1HTR2BSSTR1
SCHEMBL3568801 0.89 SSTR5 (0.85) SSTR5HRH1HTR2BSSTR1
SCHEMBL3571729 0.88 SSTR5 (0.76) SSTR5HRH1HTR2BSSTR1
SCHEMBL1380401 0.88 SSTR5 (1.00) SSTR5HRH1KCNH2HTR2B
SCHEMBL4948742 0.88 SSTR5 (0.76) SSTR5HRH1HTR2BSSTR1
SCHEMBL1121157 0.86 SSTR5 (1.00) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL1121413 0.86 SSTR5 (0.79) SSTR5HRH1KCNH2HTR2BSSTR1
SCHEMBL1121368 0.85 SSTR5 (0.86) SSTR5HRH1KCNH2HTR2BSSTR1

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
CN-101137660-B Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE 2011-06-15 CN disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
CN-101137660-A Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives as antidiabetic compounds HOFFMANN LA ROCHE (CH) 2008-03-05 CN disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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 (1 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 SSTR5 1/4885HRH1 183/4885KCNH2 1728/4885

“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.