SCHEMBL485413

SCHEMBL485413

CC(C)(C)OC(=O)N1CCCC(CCO)(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EPHX2 P34913 1/20 0.38
CTSK P43235 1/20 0.37
RECQL P46063 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL2204005 0.94 USP2 (0.49) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL3164042 0.88 USP2 (0.46) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5766669 0.86 HPGD (0.40) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL14377716 0.85 HPGD (0.39) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL5765931 0.84 USP2 (0.43) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL31230962 0.84 HPGD (0.46) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL31722312 0.83 HPGD (0.43) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL24032001 0.82 USP2 (0.41) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL485273 0.81 GPR119 (0.41) HPGDUSP2SMN1; SMN2MEN1KMT2A
SCHEMBL1880398 0.81 USP2 (0.51) HPGDUSP2SMN1; SMN2CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231327-A1 Substituted Spiro-Amide Compounds GRUENENTHAL GMBH (DE) 2013-09-05 US disclosed
US-8455475-B2 Substituted spiro-amide compounds GRUENENTHAL GMBH (DE) 2013-06-04 US disclosed
EP-2411381-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-02-01 EP disclosed
US-20100249095-A1 Substituted Spiro-amide Compounds GRUENENTHAL GMBH (DE) 2010-09-30 US disclosed
WO-2010108651-A1 SUBSTITUTED SPIRO-AMIDE COMPOUNDS Grünenthal GmbH (DE) 2010-09-30 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 (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-20130231327-A1 Substituted Spiro-Amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885USP2 4864/4885SMN1; SMN2 3545/4885
US-20100249095-A1 Substituted Spiro-amide Compounds BDKRB1, BDKRB2, REN HPGD 386/4885USP2 4864/4885SMN1; SMN2 3545/4885

“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.