SCHEMBL3573609

SCHEMBL3573609

CC(C)(C)OC(=O)N1CCC(Nc2nc3cc(C(N)=O)ccc3o2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.57
KCNH2 Q12809 1/20 0.57
HDAC6 Q9UBN7 1/20 0.50
GPR119 Q8TDV5 3/20 0.49
CHEK2 O96017 3/20 0.48
SSTR1 P30872 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PIK3CA P42336 1/20 0.46
ADORA2A P29274 1/20 0.44
HDAC4 P56524 1/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
NSD2 O96028 1/20 0.43
PARP1 P09874 1/20 0.43

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
SCHEMBL1121631 0.90 HDAC6 (0.50) SSTR5KCNH2HDAC6GPR119SSTR1
SCHEMBL3568188 0.89 ALDH1A1 (0.49) SSTR5KCNH2HDAC6GPR119SSTR1
SCHEMBL1121342 0.87 ALDH1A1 (0.49) SSTR5KCNH2HDAC6GPR119SSTR1
SCHEMBL26554300 0.86 ALDH1A1 (0.48) SSTR5KCNH2HDAC6GPR119SSTR1
SCHEMBL29437047 0.86 ALDH1A1 (0.48) SSTR5KCNH2HDAC6GPR119SSTR1
SCHEMBL1121827 0.85 ALDH1A1 (0.61) SSTR5HDAC6SSTR1ALDH1A1NPC1
SCHEMBL1121491 0.84 ALDH1A1 (0.48) SSTR5KCNH2GPR119CHEK2SSTR1
SCHEMBL1121571 0.84 CETP (0.59) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL1121642 0.83 ALDH1A1 (0.50) GPR119ALDH1A1NPC1MAPTMAPK1
SCHEMBL3573925 0.83 SSTR5 (0.54) SSTR5HDAC6GPR119SSTR1ALDH1A1

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 1/4885KCNH2 1728/4885HDAC6 1733/4885

“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.