SCHEMBL16796533

SCHEMBL16796533

CC(C)(C)OC(=O)N(CCO)C[C@H](OS(C)(=O)=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
SSTR4 P31391 1/20 0.35
NR1D1 P20393 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
MMP1 P03956 2/20 0.34
MMP2 P08253 2/20 0.34
MMP9 P14780 2/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
PHLPP2 Q6ZVD8 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL16796531 1.00 GAA (0.36) GAASSTR4NR1D1ALDH1A1KDM4E
SCHEMBL16796543 1.00 GAA (0.36) GAASSTR4NR1D1ALDH1A1KDM4E
SCHEMBL1680888 0.83 NPC1 (0.44) GAASSTR4NR1D1ALDH1A1KDM4E
SCHEMBL16796536 0.83 NPC1 (0.44) GAASSTR4NR1D1ALDH1A1KDM4E
SCHEMBL16796556 0.83 NPC1 (0.44) GAASSTR4NR1D1ALDH1A1KDM4E
SCHEMBL18119916 0.78 NPC1 (0.40) NR1D1ALDH1A1KDM4EMMP1MMP2
SCHEMBL19491672 0.78 NPC1 (0.40) NR1D1ALDH1A1KDM4EMMP1MMP2
SCHEMBL18119915 0.78 NPC1 (0.40) NR1D1ALDH1A1KDM4EMMP1MMP2
SCHEMBL16796532 0.78 KCNH2 (0.44) NR1D1MMP1MMP2MMP9MMP8
SCHEMBL16796540 0.78 KCNH2 (0.44) NR1D1MMP1MMP2MMP9MMP8

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
US-10337039-B2 Process for the preparation of chiral 2-aryl morpholines HOFFMANN-LA ROCHE INC. (US) 2019-07-02 US disclosed
EP-3080284-B1 PROCESS FOR THE PREPARATION OF A CHIRAL 2-(4-AMINOPHENYL)MORPHOLINE HOFFMANN LA ROCHE (CH) 2017-10-18 EP disclosed
EP-3080284-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES F. Hoffmann-La Roche AG (CH) 2016-10-19 EP disclosed
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES HOFFMANN-LA ROCHE INC. (US) 2016-10-06 US disclosed
WO-2015086495-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES F. HOFFMANN-LA ROCHE AG (CH) 2015-06-18 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 (2 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-10337039-B2 Process for the preparation of chiral 2-aryl morpholines TAAR1, TAAR5, TACR2 GAA 4025/4885SSTR4 49/4885NR1D1 477/4885
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES TAAR1, TAAR5, TACR2 GAA 4025/4885SSTR4 49/4885NR1D1 477/4885

“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.