SCHEMBL6345797

SCHEMBL6345797

C[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.36
PLA2G5 P39877 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HCRTR1 O43613 1/20 0.35
GAA P10253 2/20 0.33
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
USP2 O75604 1/20 0.31
MIF P14174 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
SCHEMBL7283424 0.82 TDP1 (0.36) PLA2G10PLA2G5DDB1CRBNTDP1
SCHEMBL6345936 0.79 MAPT (0.41) TDP1GAA
SCHEMBL6344558 0.76 ITGB3 (0.42) TDP1L3MBTL1
SCHEMBL1969460 0.76 ITGB3 (0.34) PLA2G10PLA2G5DDB1CRBNTDP1
SCHEMBL7390291 0.73 DDB1 (0.41) PLA2G10PLA2G5DDB1CRBNTDP1
SCHEMBL7385970 0.72 DDB1 (0.36) PLA2G10PLA2G5DDB1CRBNTDP1
SCHEMBL31376855 0.71 NFKB1 (0.44) L3MBTL1GAA
SCHEMBL31374955 0.71 NFKB1 (0.44) L3MBTL1GAA
SCHEMBL19585657 0.71 CRBN (0.64) DDB1CRBNGAA
SCHEMBL6342104 0.71 PLA2G10 (0.38) PLA2G10PLA2G5DDB1CRBNMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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 (1 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 PLA2G10 1517/4885PLA2G5 553/4885DDB1 1197/4885

“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.