SCHEMBL1121386

SCHEMBL1121386

CC(C)(C)OC(=O)N1CCC(Nc2nc3c(OCc4ccccc4)cccc3o2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 3/20 0.51
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CCNA1 P78396 1/20 0.45
GPR119 Q8TDV5 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
YAP1 P46937 1/20 0.44
STS P08842 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
TLR9 Q9NR96 3/20 0.43
TLR7 Q9NYK1 2/20 0.43
BRD4 O60885 1/20 0.43
ACHE P22303 1/20 0.43
MMP13 P45452 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
SCHEMBL1121653 0.93 GPR119 (0.48) PRMT5CCNT1CCNA2CDK2CDK9
SCHEMBL1121489 0.83 PARP1 (0.48) CCNA2CDK2GPR119L3MBTL1STS
SCHEMBL1121669 0.82 ALDH1A1 (0.49) CCNA2CDK2GPR119L3MBTL1STS
SCHEMBL1121448 0.82 ALDH1A1 (0.48) CCNA2CDK2GPR119L3MBTL1STS
SCHEMBL1121524 0.80 ALDH1A1 (0.49) CCNA2CDK2GPR119L3MBTL1KDM4E
SCHEMBL1121329 0.79 ALDH1A1 (0.46) CCNA2CDK2GPR119L3MBTL1KDM4E
SCHEMBL1121750 0.78 PARP1 (0.47) CCNA2CDK2L3MBTL1THRBKDM4E
SCHEMBL1121302 0.78 PARP1 (0.46) L3MBTL1THRBKDM4EPKMMAPT
SCHEMBL1121754 0.78 PARP1 (0.44) CCNA2CDK2GPR119L3MBTL1KDM4E
SCHEMBL23360351 0.77 PRMT5 (0.51) PRMT5GPR119L3MBTL1YAP1STS

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 PRMT5 2245/4885CCNT1 2034/4885CCNA2 3213/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R PRMT5 2245/4885CCNT1 2034/4885CCNA2 3213/4885

“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.