SCHEMBL1064245

SCHEMBL1064245

COC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(Cl)c2F)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GCK P35557 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP2K1 Q02750 1/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
RIPK1 Q13546 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL1064249 1.00 NPC1 (0.35) NPC1RAB9AKMT2ANPSR1GCK
SCHEMBL1068266 0.90 MRGPRX4 (0.36) NPSR1GCKMAPTALDH1A1RIPK1
SCHEMBL1068377 0.90 CARM1 (0.37) NPC1RAB9AKMT2ANPSR1MAPT
SCHEMBL2700983 0.90 CARM1 (0.37) NPC1RAB9AKMT2ANPSR1MAPT
SCHEMBL1066291 0.90 GNRHR (0.35) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL2700348 0.90 GNRHR (0.35) NPSR1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL1068264 0.90 MRGPRX4 (0.36) NPSR1GCKMAPTALDH1A1RIPK1
SCHEMBL2700658 0.90 NPSR1 (0.38) NPC1RAB9AKMT2ANPSR1MAPT
SCHEMBL1064483 0.90 NPSR1 (0.38) NPC1RAB9AKMT2ANPSR1MAPT
SCHEMBL2700787 0.89 ALDH1A1 (0.34) NPC1RAB9ANPSR1MAPTALDH1A1

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 NPC1 3656/4885RAB9A 2842/4885KMT2A 2072/4885

“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.