SCHEMBL1445798

SCHEMBL1445798

CC(C)(C)C(=O)Nc1cnc(C(=O)COC2CCCCO2)cn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CNR2 P34972 2/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 4/20 0.34
CREBBP Q92793 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX5AP P20292 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL12836517 0.85 CNR2 (0.37) CNR2NPC1RAB9ACYP1A2ALOX5AP
SCHEMBL1445808 0.75 CNR2 (0.36) CNR2NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL3290355 0.74 NPC1 (0.36) KMT2ACNR2NPC1RAB9ACYP1A2
SCHEMBL1445669 0.72 CNR2 (0.34) MEN1KMT2ACNR2NPC1RAB9A
SCHEMBL1445413 0.72 CNR2 (0.39) CNR2NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL3291100 0.72 CCNB2 (0.36) CNR2NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL3297481 0.71 CNR2 (0.38) CNR2NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL3290978 0.71 KDR (0.38) CNR2NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL6300033 0.71 MAPT (0.49) MEN1KMT2ANPC1RAB9AKDM4C
SCHEMBL5250541 0.71 MEN1 (0.47) MEN1KMT2ANPC1RAB9ACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011023706-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND F. HOFFMANN-LA ROCHE AG (CH) 2011-03-03 WO disclosed
US-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND HOFFMANN-LA ROCHE, INC. 2011-03-03 US 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-20110054174-A1 PROCESS FOR THE PREPARATION OF A GLUCOKINASE ACTIVATOR COMPOUND GCKR, GCK, HK1 MEN1 2762/4885KMT2A 2741/4885CNR2 2771/4885

“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.