SCHEMBL1865623

SCHEMBL1865623

CC(C)(C)OC(=O)NN1CCC2(CC2(F)F)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
DRD2 P14416 5/20 0.36
NPFFR1 Q9GZQ6 1/20 0.35
NPFFR2 Q9Y5X5 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NR1I3 Q14994 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
F2 P00734 1/20 0.33
APLNR P35414 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL29986227 0.72 DRD2 (0.47) DRD2NR1I3MEN1KMT2A
SCHEMBL3661398 0.72 MAPK1 (0.50) DRD2MEN1KMT2APIM1PIM3
SCHEMBL1862101 0.69 DRD2 (0.40) DRD2NR1I3MEN1KMT2A
SCHEMBL1857730 0.69 LIPE (0.38) DRD2NR1I3MEN1KMT2APIM1
SCHEMBL1858653 0.68 DRD2 (0.39) DRD2NR1I3MEN1KMT2A
SCHEMBL28535451 0.65 P2RX4 (0.40) DRD2MEN1KMT2A
SCHEMBL27766280 0.64 DRD2 (0.37) DRD2MEN1KMT2A
SCHEMBL3292053 0.64 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6
SCHEMBL3292051 0.64 KDM1A (0.46) KDM1AHDAC1HDAC8HDAC6
SCHEMBL30988532 0.63 AVPR1A (0.41) KDM1AHDAC1HDAC8HDAC6

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 KDM1A 264/4885DRD2 595/4885NPFFR1 974/4885

“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.