SCHEMBL2662008

SCHEMBL2662008

CC1(C)OC[C@H](Cn2ccc(C(N)=O)n2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
ALDH1A1 P00352 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FPR2 P25090 1/20 0.37
SCN9A Q15858 1/20 0.37
KDM4E B2RXH2 3/20 0.35
TSHR P16473 3/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 2/20 0.35
CA2 P00918 2/20 0.35
MAPK14 Q16539 1/20 0.35
NAMPT P43490 3/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALOX15 P16050 2/20 0.33
JAK2 O60674 2/20 0.33
NTRK1 P04629 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
SCHEMBL1080225 1.00 TMEM97 (0.45) TMEM97SIGMAR1ALDH1A1NPSR1FPR2
SCHEMBL1065369 0.81 TMEM97 (0.42) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL1065371 0.81 TMEM97 (0.42) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL1065374 0.81 TMEM97 (0.42) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL1059613 0.80 ALDH1A1 (0.41) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL610404 0.80 ALDH1A1 (0.41) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL610403 0.80 ALDH1A1 (0.41) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL15846861 0.79 MAPK14 (0.46) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL15846862 0.79 MAPK14 (0.46) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL12200438 0.79 ALDH1A1 (0.45) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 TMEM97 4438/4885SIGMAR1 4559/4885ALDH1A1 1129/4885

“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.