SCHEMBL799463

SCHEMBL799463

Cc1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.48
BACE1 P56817 1/20 0.38
BACE2 Q9Y5Z0 1/20 0.38
DGAT1 O75907 1/20 0.33
LIPE Q05469 2/20 0.32
AAK1 Q2M2I8 2/20 0.32
UCHL1 P09936 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL24437647 0.84 USP30 (0.47) USP30BACE1BACE2DGAT1LIPE
SCHEMBL799138 0.81 USP30 (0.53) USP30BACE1BACE2DGAT1AAK1
SCHEMBL20581010 0.80 USP30 (0.44) USP30BACE1BACE2DGAT1LIPE
SCHEMBL2098884 0.77 BACE1 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL25168660 0.77 BACE1 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL1180891 0.76 TSHR (0.41) USP30DGAT1LIPEAAK1PRMT5
SCHEMBL30990275 0.75 USP30 (0.47) USP30BACE1BACE2DGAT1LIPE
SCHEMBL20516750 0.75 USP30 (0.47) USP30BACE1BACE2DGAT1AAK1
SCHEMBL1180889 0.74 USP30 (0.50) USP30BACE1BACE2DGAT1LIPE
SCHEMBL13069765 0.73 USP30 (0.44) USP30BACE1BACE2DGAT1LIPE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-8309546-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-13 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-22 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-8097622-B2 Morpholinopurine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-17 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US disclosed
US-20100130492-A1 MORPHOLINOPURINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-05-27 US 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-20100130492-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 USP30 2365/4885BACE1 4412/4885BACE2 4803/4885
US-20120071476-A1 MORPHOLINOPURINE DERIVATIVES MTOR, RICTOR, PIK3R1 USP30 2365/4885BACE1 4412/4885BACE2 4803/4885

“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.