SCHEMBL2228033

SCHEMBL2228033

CC(C)(C)OC(=O)N1CCCC(C)(C(N)=O)C1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
EPHX1 P07099 1/20 0.38
USP30 Q70CQ3 2/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HDAC2 Q92769 1/20 0.36
PREP P48147 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H2 P55055 1/20 0.36
CYP11B2 P19099 1/20 0.36
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL23582793 0.91 USP2 (0.44) HPGDUSP2SMN1; SMN2USP30HDAC2
SCHEMBL2279068 0.86 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL6943029 0.86 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL17407192 0.86 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL20482260 0.86 HPGD (0.43) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL18764575 0.84 USP2 (0.44) HPGDUSP2SMN1; SMN2EPHX1ALDH1A1
SCHEMBL3157569 0.84 HPGD (0.41) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL12683369 0.82 HPGD (0.47) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL16095519 0.82 HPGD (0.38) HPGDUSP2SMN1; SMN2GRIN2BGRIN2C
SCHEMBL30707171 0.82 HPGD (0.42) HPGDUSP2SMN1; SMN2GRIN2BGRIN2C

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
US-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
EP-2523957-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2012-11-21 EP disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 US disclosed
WO-2011086053-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2011-07-21 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 HPGD 223/4885USP2 3121/4885SMN1; SMN2 4086/4885

“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.