SCHEMBL1069084

SCHEMBL1069084

O=C(O)[C@H](CC1CCCCC1)N1CC(Oc2ccccc2)=CC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.43
METAP2 P50579 1/20 0.41
METAP1 P53582 1/20 0.41
NR1H4 Q96RI1 1/20 0.38
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
PDE1C Q14123 1/20 0.36
CTSS P25774 2/20 0.35
BACE1 P56817 1/20 0.35
CTSL P07711 1/20 0.35
USP19 O94966 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2702977 1.00 NPY5R (0.43) NPY5RMETAP2METAP1NR1H4MMP2
SCHEMBL2700772 0.90 LMNA (0.40) NPY5RMETAP2METAP1PDE1CCTSS
SCHEMBL1067051 0.90 PPARG (0.36) NPY5RMETAP2METAP1CTSSCTSL
SCHEMBL1067586 0.90 LMNA (0.40) NPY5RMETAP2METAP1PDE1CCTSS
SCHEMBL1063323 0.90 CYP1A2 (0.40) NPY5RCTSSCTSLUSP19SMN1; SMN2
SCHEMBL2702322 0.90 KDM4E (0.38) NPY5RMETAP2METAP1RAB9AALDH1A1
SCHEMBL1068257 0.90 KDM4E (0.38) NPY5RMETAP2METAP1RAB9AALDH1A1
SCHEMBL1067049 0.90 PPARG (0.36) NPY5RMETAP2METAP1CTSSCTSL
SCHEMBL1066729 0.90 FFAR1 (0.40) NPY5RMETAP2METAP1EPHX2
SCHEMBL1062532 0.90 FFAR1 (0.40) NPY5RMETAP2METAP1EPHX2

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
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 NPY5R 1811/4885METAP2 1611/4885METAP1 1718/4885

“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.