SCHEMBL6914487

SCHEMBL6914487

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPK1 P28482 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
MT-CO2 P00403 1/20 0.37
NR1H2 P55055 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
TSHR P16473 2/20 0.35
PAX8 Q06710 1/20 0.35
PSMD14 O00487 1/20 0.35
RECQL P46063 1/20 0.35
GFER P55789 1/20 0.35
CYP1A2 P05177 2/20 0.34
MAOA P21397 2/20 0.34
LMNA P02545 1/20 0.34
PHLPP2 Q6ZVD8 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL1906868 0.91 ALDH1A1 (0.42) CYP3A4ALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL8508900 0.89 CYP3A4 (0.53) CYP3A4ALDH1A1TDP1TP53L3MBTL1
SCHEMBL19998352 0.89 CYP3A4 (0.37) CYP3A4ALDH1A1MAPK1TDP1TP53
SCHEMBL19998349 0.85 MT-CO2 (0.46) CYP3A4ALDH1A1MAPK1TDP1TP53
SCHEMBL19998347 0.85 MT-CO2 (0.46) CYP3A4ALDH1A1MAPK1TDP1TP53
SCHEMBL1817649 0.84 PAX8 (0.49) CYP3A4ALDH1A1MAPK1TDP1TP53
SCHEMBL25347292 0.82 PARP10 (0.43) CYP3A4ALDH1A1TDP1MT-CO2L3MBTL1
SCHEMBL22109511 0.82 CYP3A4 (0.36) CYP3A4ALDH1A1MAPK1TDP1TP53
SCHEMBL5421359 0.81 RAB9A (0.43) ALDH1A1MAPK1TDP1MT-CO2TSHR
SCHEMBL5360319 0.81 MT-CO2 (0.37) MT-CO2PAX8MAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8759377-B2 Substituted dioxopiperidines and dioxopyrrolidines as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2014-06-24 US disclosed
US-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY 2011-05-26 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-20110124663-A1 SUBSTITUTED DIOXOPIPERIDINES AND DIOXOPYRROLIDINES AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOSITIONS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION GRM4, GRIA4, GRIK4 CYP3A4 919/4885ALDH1A1 4187/4885MAPK1 2002/4885

“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.