SCHEMBL3572121

SCHEMBL3572121

CCOc1cc(CN2CCC(Nc3nc4cc(C#N)ccc4o3)CC2)cc(OCC)c1-n1cncn1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 20/20 0.56
HRH1 P35367 6/20 0.55
SSTR1 P30872 2/20 0.55
KCNH2 Q12809 3/20 0.54
HTR2B P41595 2/20 0.53

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
SCHEMBL4726378 0.88 SSTR5 (0.73) SSTR5HRH1HTR2B
SCHEMBL3579411 0.86 SSTR5 (0.71) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121611 0.86 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121521 0.86 SSTR5 (0.75) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121390 0.85 SSTR5 (0.65) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121288 0.85 SSTR5 (0.61) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121614 0.85 SSTR5 (0.60) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121454 0.85 SSTR5 (0.58) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1122193 0.84 SSTR5 (0.58) SSTR5HRH1SSTR1KCNH2HTR2B
SCHEMBL1121377 0.79 SSTR5 (0.52) SSTR5HRH1SSTR1KCNH2HTR2B

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 183/4885SSTR1 2/4885

“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.