SCHEMBL1121491

SCHEMBL1121491

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SSTR5 P35346 7/20 0.46
KCNH2 Q12809 2/20 0.46
DYRK1A Q13627 1/20 0.43
CETP P11597 1/20 0.43
SSTR1 P30872 3/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 1/20 0.42
HRH1 P35367 3/20 0.42
DNMT3A Q9Y6K1 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
PIK3CA P42336 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL1121586 0.91 ALDH1A1 (0.50) ALDH1A1SSTR5KCNH2DYRK1ACETP
SCHEMBL1121827 0.87 ALDH1A1 (0.61) ALDH1A1SSTR5DYRK1ASSTR1NPC1
SCHEMBL1121893 0.87 ALDH1A1 (0.49) ALDH1A1SSTR5KCNH2DYRK1ASSTR1
SCHEMBL1121485 0.87 GPR119 (0.49) ALDH1A1SSTR5KCNH2DYRK1ACETP
SCHEMBL1121696 0.87 ALDH1A1 (0.47) ALDH1A1SSTR5KCNH2DYRK1ACETP
SCHEMBL1121746 0.85 ALDH1A1 (0.46) ALDH1A1SSTR5KCNH2DYRK1ACETP
SCHEMBL3568188 0.85 ALDH1A1 (0.49) ALDH1A1SSTR5KCNH2CETPSSTR1
SCHEMBL1121647 0.85 GPR119 (0.48) ALDH1A1SSTR5DYRK1ASSTR1HRH1
SCHEMBL1121642 0.85 ALDH1A1 (0.50) ALDH1A1DYRK1ANPC1MAPTMAPK1
SCHEMBL3573609 0.84 SSTR5 (0.57) ALDH1A1SSTR5KCNH2SSTR1NPC1

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 1384/4885SSTR5 1/4885KCNH2 1701/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885SSTR5 1/4885KCNH2 1701/4885

“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.