SCHEMBL1121696

SCHEMBL1121696

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
GPR119 Q8TDV5 7/20 0.44
MAOB P27338 1/20 0.44
NSD2 O96028 1/20 0.43
EHMT2 Q96KQ7 1/20 0.43
DYRK1A Q13627 1/20 0.43
SSTR5 P35346 3/20 0.42
SSTR1 P30872 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 1/20 0.42
CETP P11597 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
SCHEMBL1121893 0.91 ALDH1A1 (0.49) ALDH1A1PDE3BPDE3AGPR119MAOB
SCHEMBL1121746 0.90 ALDH1A1 (0.46) ALDH1A1PDE3BPDE3AGPR119MAOB
SCHEMBL1121647 0.89 GPR119 (0.48) ALDH1A1PDE3BPDE3AGPR119MAOB
SCHEMBL1121491 0.87 ALDH1A1 (0.48) ALDH1A1PDE3BPDE3AGPR119DYRK1A
SCHEMBL1121586 0.87 ALDH1A1 (0.50) ALDH1A1PDE3BPDE3AGPR119NSD2
SCHEMBL1121827 0.86 ALDH1A1 (0.61) ALDH1A1NSD2EHMT2DYRK1ASSTR5
SCHEMBL1121709 0.86 MEN1 (0.44) ALDH1A1PDE3BPDE3AGPR119MAOB
SCHEMBL1121485 0.86 GPR119 (0.49) ALDH1A1GPR119MAOBNSD2EHMT2
SCHEMBL1121765 0.86 NSD2 (0.44) ALDH1A1PDE3BPDE3AGPR119MAOB
SCHEMBL1122052 0.85 ALDH1A1 (0.43) ALDH1A1PDE3BPDE3AGPR119MAOB

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 1384/4885PDE3B 616/4885PDE3A 673/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R ALDH1A1 1384/4885PDE3B 616/4885PDE3A 673/4885

“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.