SCHEMBL705872

SCHEMBL705872

CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCCN1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPFFR1 Q9GZQ6 1/20 0.41
NPFFR2 Q9Y5X5 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2D6 P10635 3/20 0.40
ALDH1A1 P00352 1/20 0.40
P4HB P07237 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL704386 0.89 SIGMAR1 (0.42)
SCHEMBL704387 0.89 SIGMAR1 (0.42)
SCHEMBL9546413 0.79 CYP3A4 (0.52) KMT2AL3MBTL1OPRD1OPRK1CYP2D6
SCHEMBL9854762 0.78 CYP4F2 (0.33)
SCHEMBL21225368 0.78 CYP2D6 (0.46) CYP2D6ALDH1A1TSHRCYP3A4
SCHEMBL18561055 0.76
SCHEMBL1555874 0.75 OPRD1 (0.49) OPRD1OPRK1CYP2D6ALDH1A1TSHR
SCHEMBL3578169 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL18301541 0.75 MMP1 (0.33)
SCHEMBL7995307 0.74 MAPK1 (0.36)

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-2280970-B1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2014-01-08 EP disclosed
US-8124636-B2 Imidazolidinone derivatives as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2280970-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-02-09 EP disclosed
WO-2009132986-A1 IMIDAZOLIDINONE DERIVATIVES AS 11B-HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-11-05 WO disclosed
US-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HOFFMANN-LA ROCHE, INC. 2009-11-05 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-20090275573-A1 Imidazolidinone Derivatives as 11B-HSD1 Inhibitors HSD11B1, HSD17B1, HSD17B11 KMT2A 2297/4885L3MBTL1 4305/4885NPFFR1 2531/4885

“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.