SCHEMBL2080211

SCHEMBL2080211

CC(C)(C)OC(=O)N1[C@@H](CNc2ccnc(Cl)c2)COC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
HSD11B2 P80365 1/20 0.38
SPHK1 Q9NYA1 1/20 0.37
ANO1 Q5XXA6 1/20 0.34
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
GPR119 Q8TDV5 2/20 0.34
AR P10275 1/20 0.34
NAMPT P43490 7/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
CYP2C9 P11712 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
SCHEMBL2080215 1.00 BRD4 (0.40) BRD4JAK2JAK1HSD11B2SPHK1
SCHEMBL16087507 0.86 SMARCA2 (0.38) SMARCA2SMARCA4AR
SCHEMBL16087506 0.86 SMARCA2 (0.38) SMARCA2SMARCA4AR
SCHEMBL2082316 0.84 BRD4 (0.43) BRD4HSD11B2SPHK1ANO1CYP2C9
SCHEMBL2082319 0.84 BRD4 (0.43) BRD4HSD11B2SPHK1ANO1CYP2C9
SCHEMBL2078387 0.81 HSD11B2 (0.42) BRD4HSD11B2SPHK1GPR119NAMPT
SCHEMBL2080856 0.81 HSD11B2 (0.42) BRD4HSD11B2SPHK1GPR119NAMPT
SCHEMBL2078385 0.81 HSD11B2 (0.42) BRD4HSD11B2SPHK1GPR119NAMPT
SCHEMBL2081661 0.80 BRD4 (0.41) BRD4HSD11B2SPHK1NAMPTACACB
SCHEMBL2081658 0.80 BRD4 (0.41) BRD4HSD11B2SPHK1NAMPTACACB

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 10 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
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
US-7902238-B2 2-aminooxazolines as TAAR1 ligands HOFFMANN-LA ROCHE INC. (US) 2011-03-08 US 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
US-20090105307-A1 2-AMINOOXAZOLINES AS TAAR1 LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-23 US 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 2730/4885JAK2 814/4885JAK1 1297/4885

“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.