SCHEMBL2397802

SCHEMBL2397802

CC(C)(C)OC(=O)N1CCC(N2CCOC2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
FPR2 P25090 1/20 0.45
VNN1 O95497 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
EPHX1 P07099 1/20 0.44
USP30 Q70CQ3 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
BACE1 P56817 1/20 0.42

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
SCHEMBL21783062 0.92 USP30 (0.52) RECQLUSP2SMN1; SMN2TP53KDM4E
SCHEMBL17001782 0.92 RECQL (0.48) RECQLUSP2SMN1; SMN2TP53KDM4E
SCHEMBL28969957 0.91 VNN1 (0.43) RECQLUSP2SMN1; SMN2TP53KDM4E
SCHEMBL3076937 0.82 RECQL (0.43) RECQLUSP2SMN1; SMN2KDM4EMAPT
SCHEMBL3069546 0.82 RECQL (0.43) RECQLUSP2SMN1; SMN2KDM4EMAPT
SCHEMBL3449401 0.81 RECQL (0.54) RECQLUSP2SMN1; SMN2TP53KDM4E
SCHEMBL3072326 0.81 RECQL (0.42) RECQLUSP2SMN1; SMN2KDM4EMAPT
SCHEMBL3061518 0.81 GPR119 (0.39) RECQLUSP2SMN1; SMN2TP53VNN1
SCHEMBL3075339 0.81 RECQL (0.42) RECQLUSP2SMN1; SMN2KDM4EMAPT
SCHEMBL26668822 0.80 RECQL (0.47) RECQLUSP2SMN1; SMN2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215090-B1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2015-03-04 EP disclosed
US-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 US disclosed
EP-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP disclosed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 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-20110230464-A1 PURINE DERIVATIVES USEFUL AS P13 KINASE INHIBITORS PIK3CA, PIK3CD, PI4KA RECQL 531/4885USP2 2898/4885SMN1; SMN2 2854/4885

“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.