SCHEMBL16460935

SCHEMBL16460935

[CH2][C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.49
EPHX1 P07099 1/20 0.49
PTPN2 P17706 1/20 0.48
PTPN1 P18031 1/20 0.48
PTPN6 P29350 1/20 0.48
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
USP30 Q70CQ3 1/20 0.46
GPR119 Q8TDV5 3/20 0.46
NR1H2 P55055 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL1516224 1.00 HPGD (0.51) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL7853345 0.90 MEN1 (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL771302 0.90 MEN1 (0.55) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL425224 0.89 HPGD (0.58) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL3118148 0.85 NR1H2 (0.54) HPGDRECQLEPHX1USP2SMN1; SMN2
SCHEMBL8470462 0.81 HPGD (0.54) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL1788126 0.81 HPGD (0.54) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL4574297 0.81 HPGD (0.50) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL3142454 0.81 HPGD (0.50) HPGDRECQLEPHX1PTPN2PTPN1
SCHEMBL12938788 0.80 HPGD (0.53) HPGDRECQLEPHX1PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 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 (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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HPGD 1161/4885RECQL 4092/4885EPHX1 1746/4885

“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.