SCHEMBL3569284

SCHEMBL3569284

CCOc1cc(CN2CCC(c3c(N)ccc4oc(N)nc34)CC2)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 17/20 0.53
HRH1 P35367 5/20 0.53
HTR2B P41595 1/20 0.53
KCNH2 Q12809 2/20 0.51
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
SSTR1 P30872 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL3582502 0.90 SSTR5 (0.43) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3583766 0.89 SSTR5 (0.53) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3574855 0.87 SSTR5 (0.51) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL3975986 0.78 ALDH1A1 (0.50) SSTR5HRH1HTR2BBCHEACHE
SCHEMBL1874019 0.77 SSTR5 (0.47) SSTR5HRH1HTR2BKCNH2BCHE
SCHEMBL1748099 0.77 SSTR5 (0.49) SSTR5HRH1HTR2BKCNH2BCHE
SCHEMBL1121452 0.76 SSTR5 (0.51) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1121306 0.75 SSTR5 (0.49) SSTR5HRH1HTR2BKCNH2SSTR1
SCHEMBL1748416 0.74 ALDH1A1 (0.58) SSTR5HRH1HTR2BKDM4EALDH1A1
SCHEMBL4944799 0.73 SSTR5 (0.82) SSTR5HRH1HTR2BKCNH2SSTR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 183/4885HTR2B 248/4885

“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.