SCHEMBL2658028

SCHEMBL2658028

CC1(C)OC[C@H](c2cnc(C(N)=O)cn2)O1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.40
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
GSK3B P49841 1/20 0.33
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL28667072 0.83 PCSK9 (0.39)
SCHEMBL609052 0.79 IRAK4 (0.32)
SCHEMBL609051 0.79 IRAK4 (0.32)
SCHEMBL12200521 0.79 IRAK4 (0.31)
SCHEMBL12200518 0.79 IRAK4 (0.31)
SCHEMBL28668136 0.75
SCHEMBL1445670 0.75 CNR2 (0.36)
SCHEMBL1445671 0.75 CNR2 (0.36)
SCHEMBL589628 0.72 FPR2 (0.43) SIRT6ADRA1AFPR2SCN9A
SCHEMBL27751224 0.72 CA2 (0.47) SIRT6FPR2SCN9A

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 11 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
US-8697705-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2014-04-15 US disclosed
US-20130296339-A1 ISOINDOLINONE DERIVATIVES HOFFMANN LA ROCHE (US) 2013-11-07 US disclosed
US-8470866-B2 Isoindolinone derivatives HOFFMANN-LA ROCHE INC. (US) 2013-06-25 US disclosed
US-20120283271-A1 ISOINDOLINONE DERIVATIVES BERTHEL STEVEN JOSEPH (US) 2012-11-08 US disclosed
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 (3 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-20120283271-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 SIRT6 551/4885ADORA3 2437/4885TSHR 4028/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 SIRT6 566/4885ADORA3 2616/4885TSHR 3084/4885
US-20130296339-A1 ISOINDOLINONE DERIVATIVES GCK, GCKR, PDK2 SIRT6 551/4885ADORA3 2437/4885TSHR 4028/4885

“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.