SCHEMBL1858653

SCHEMBL1858653

C=C1CCN(NC(=O)OC(C)(C)C)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.39
RECQL P46063 1/20 0.38
LIPE Q05469 1/20 0.37
NR1I3 Q14994 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BCHE P06276 1/20 0.35
MALT1 Q9UDY8 1/20 0.34
KCNA3 P22001 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
SCHEMBL1862101 0.86 DRD2 (0.40) DRD2LIPENR1I3MEN1KMT2A
SCHEMBL1857730 0.82 LIPE (0.38) DRD2LIPENR1I3MEN1KMT2A
SCHEMBL29986227 0.81 DRD2 (0.47) DRD2LIPENR1I3MEN1KMT2A
SCHEMBL1858418 0.79 RECQL (0.38) RECQLMEN1KMT2A
SCHEMBL2335054 0.77 KDM1A (0.48) DRD2RECQLBCHE
SCHEMBL3661398 0.73 MAPK1 (0.50) DRD2LIPEMEN1KMT2ABCHE
SCHEMBL9185817 0.70 L3MBTL1 (0.42) DRD2LIPEMEN1KMT2A
SCHEMBL24620676 0.69 LIPE (0.44) DRD2LIPEMEN1KMT2A
SCHEMBL18938923 0.69 ABHD6 (0.44) DRD2RECQLLIPE
SCHEMBL28535451 0.68 P2RX4 (0.40) DRD2MEN1KMT2ABCHE

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 DRD2 595/4885RECQL 427/4885LIPE 1129/4885

“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.