SCHEMBL1121653

SCHEMBL1121653

CC(C)(C)OC(=O)N1CCC(Nc2nc3c(OCc4ccncc4)cccc3o2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
PRMT5 O14744 1/20 0.44
USP30 Q70CQ3 1/20 0.42
F2RL3 Q96RI0 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CCNA2 P20248 2/20 0.41
CDK2 P24941 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CCNT1 O60563 2/20 0.41
NAMPT P43490 1/20 0.41
CDK9 P50750 1/20 0.41
CCNA1 P78396 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.40
SLC2A1 P11166 1/20 0.40
CNR1 P21554 1/20 0.40

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
SCHEMBL1121386 0.93 PRMT5 (0.51) GPR119PRMT5CCNA2CDK2MAPT
SCHEMBL1121669 0.81 ALDH1A1 (0.49) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121448 0.80 ALDH1A1 (0.48) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121489 0.80 PARP1 (0.48) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121524 0.79 ALDH1A1 (0.49) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121355 0.78 F2RL3 (0.41) PRMT5F2RL3CCNT1
SCHEMBL1121329 0.78 ALDH1A1 (0.46) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121302 0.76 PARP1 (0.46) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL1121754 0.76 PARP1 (0.44) GPR119ALDH1A1CCNA2CDK2NPC1
SCHEMBL1121750 0.76 PARP1 (0.47) ALDH1A1CCNA2CDK2NPC1MAPT

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 GPR119 51/4885PRMT5 2245/4885USP30 4029/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R GPR119 51/4885PRMT5 2245/4885USP30 4029/4885

“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.