SCHEMBL2080227

SCHEMBL2080227

CC(C)(C)OC(=O)N1C(CNc2ccccc2Cl)COC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.42
HSD11B2 P80365 1/20 0.42
SPHK1 Q9NYA1 1/20 0.39
TTK P33981 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NAMPT P43490 1/20 0.37
MAPK8 P45983 1/20 0.36
MAPT P10636 2/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
STS P08842 1/20 0.36
TSHR P16473 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
IL1B P01584 2/20 0.35
P2RX7 Q99572 2/20 0.35

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
SCHEMBL2080224 1.00 BRD4 (0.42) BRD4HSD11B2SPHK1TTKKDM4E
SCHEMBL16087487 0.86 HSD11B2 (0.39) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2080856 0.85 HSD11B2 (0.42) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2078385 0.85 HSD11B2 (0.42) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2078387 0.85 HSD11B2 (0.42) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2081658 0.82 BRD4 (0.41) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2081661 0.82 BRD4 (0.41) BRD4HSD11B2SPHK1KDM4EPKM
SCHEMBL2082319 0.82 BRD4 (0.43) BRD4HSD11B2SPHK1PKMSTS
SCHEMBL2082316 0.82 BRD4 (0.43) BRD4HSD11B2SPHK1PKMSTS
SCHEMBL13110173 0.79 KEAP1 (0.41) BRD4HSD11B2SPHK1KDM4EPKM

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-2121641-B1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS HOFFMANN LA ROCHE (CH) 2014-09-24 EP disclosed
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US disclosed
EP-2121641-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. Hoffmann-Roche AG (CH) 2009-11-25 EP disclosed
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US disclosed
WO-2008098857-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO 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-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS TAAR1, TAAR5, NPSR1 BRD4 2730/4885HSD11B2 1234/4885SPHK1 1861/4885

“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.