SCHEMBL1068928

SCHEMBL1068928

CCC(C)CC(N=C(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.43
KCNH2 Q12809 2/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
XBP1 P17861 1/20 0.38
ATM Q13315 1/20 0.38
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACE P12821 1/20 0.35

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
SCHEMBL1068927 1.00 AAK1 (0.43) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL1067740 0.85 MEN1 (0.46) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL1067741 0.85 MEN1 (0.46) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL1741951 0.85 AAK1 (0.46) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL381892 0.85 AAK1 (0.48) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL27842018 0.81 AAK1 (0.43) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL7711956 0.76 AAK1 (0.47) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL18762539 0.76 AAK1 (0.44) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL27842032 0.75 AAK1 (0.56) AAK1KCNH2PGRADRA2AADRA2B
SCHEMBL2560172 0.75 AAK1 (0.44) AAK1ALDH1A1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102007118-B Pyrrolidinone glucokinase activators HOFFMANN LA ROCHE 2014-12-31 CN disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 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 AAK1 247/4885KCNH2 1735/4885PGR 3392/4885

“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.