SCHEMBL1857730

SCHEMBL1857730

CC(C)(C)OC(=O)NN1CCC(=C(F)F)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.38
DRD2 P14416 9/20 0.38
BCHE P06276 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NR1I3 Q14994 3/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MALT1 Q9UDY8 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
SCHEMBL1862101 0.84 DRD2 (0.40) LIPEDRD2MEN1KMT2ANR1I3
SCHEMBL1858653 0.82 DRD2 (0.39) LIPEDRD2BCHEMEN1KMT2A
SCHEMBL1861264 0.80 MEN1 (0.34) LIPEMEN1KMT2ANPC1RAB9A
SCHEMBL29986227 0.79 DRD2 (0.47) LIPEDRD2MEN1KMT2ANR1I3
SCHEMBL3661398 0.71 MAPK1 (0.50) LIPEDRD2BCHEMEN1KMT2A
SCHEMBL24620676 0.70 LIPE (0.44) LIPEDRD2MEN1KMT2ANPC1
SCHEMBL1865623 0.69 KDM1A (0.40) DRD2MEN1KMT2ANR1I3PIM1
SCHEMBL1407285 0.68 ALDH1A1 (0.49) MEN1KMT2ANPC1GAARAB9A
SCHEMBL29554003 0.68 ALDH1A1 (0.49) MEN1KMT2ANPC1GAARAB9A
SCHEMBL9185817 0.68 L3MBTL1 (0.42) LIPEDRD2MEN1KMT2AGAA

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
US-7947834-B2 Substituted quinoxalines, their preparation and their therapeutical use as 11βHSD1 modulators SANOFI-AVENTIS (FR) 2011-05-24 US disclosed
US-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SANOFI-AVENTIS (FR) 2009-07-09 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-20090176775-A1 DERIVATIVES OF UREAS OF PIPERIDINE OR PYRROLIDINE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE HSD11B1, HSD3B1, ADH1C LIPE 1129/4885DRD2 595/4885BCHE 1905/4885

“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.