SCHEMBL1121655

SCHEMBL1121655

COC(=O)Cc1ccc2oc(NC3CCN(C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
DNMT3A Q9Y6K1 1/20 0.46
SSTR5 P35346 10/20 0.45
SSTR1 P30872 2/20 0.45
HRH1 P35367 2/20 0.45
NPC1 O15118 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NSD2 O96028 1/20 0.43
KCNH2 Q12809 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CETP P11597 1/20 0.42

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
SCHEMBL25402111 0.86 SSTR5 (0.44) ALDH1A1DNMT3ASSTR5SSTR1HRH1
SCHEMBL1121586 0.86 ALDH1A1 (0.50) ALDH1A1DNMT3ASSTR5SSTR1HRH1
SCHEMBL1121827 0.85 ALDH1A1 (0.61) ALDH1A1DNMT3ASSTR5SSTR1HRH1
SCHEMBL1121342 0.85 ALDH1A1 (0.49) ALDH1A1DNMT3ASSTR5SSTR1NPC1
SCHEMBL3568188 0.85 ALDH1A1 (0.49) ALDH1A1SSTR5SSTR1HRH1NPC1
SCHEMBL1121631 0.84 HDAC6 (0.50) ALDH1A1DNMT3ASSTR5SSTR1NPC1
SCHEMBL26554300 0.84 ALDH1A1 (0.48) ALDH1A1DNMT3ASSTR5SSTR1NPC1
SCHEMBL29437047 0.84 ALDH1A1 (0.48) ALDH1A1DNMT3ASSTR5SSTR1NPC1
SCHEMBL3573609 0.82 SSTR5 (0.57) ALDH1A1SSTR5SSTR1NPC1MAPK1
SCHEMBL29437108 0.82 SSTR5 (0.43) DNMT3ASSTR5SSTR1HRH1KCNH2

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
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885DNMT3A 4356/4885SSTR5 1/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885DNMT3A 4356/4885SSTR5 1/4885

“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.