SCHEMBL16796540

SCHEMBL16796540

CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)OS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.44
ADRB3 P13945 1/20 0.40
BMP1 P13497 1/20 0.38
MMP1 P03956 2/20 0.38
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP8 P22894 2/20 0.38
MMP13 P45452 2/20 0.38
NR1D1 P20393 1/20 0.37

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
SCHEMBL16796532 1.00 KCNH2 (0.44) KCNH2ADRB3BMP1MMP1MMP2
SCHEMBL16796534 0.86 KCNH2 (0.50) KCNH2ADRB3NR1D1
SCHEMBL1993401 0.83 KCNH2 (0.47) KCNH2ADRB3NR1D1
SCHEMBL19491464 0.82 KCNH2 (0.52) KCNH2BMP1MMP1MMP2MMP9
SCHEMBL17177098 0.80 KCNH2 (0.45) KCNH2
SCHEMBL16682344 0.80 KCNH2 (0.53) KCNH2MMP1MMP2MMP9MMP8
SCHEMBL19491362 0.79 KCNH2 (0.52) KCNH2BMP1NR1D1
SCHEMBL16796531 0.78 GAA (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL16796533 0.78 GAA (0.36) MMP1MMP2MMP9MMP8MMP13
SCHEMBL16796543 0.78 GAA (0.36) MMP1MMP2MMP9MMP8MMP13

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 KCNH2 745/4885ADRB3 75/4885BMP1 931/4885
US-20160289718-A1 PROCESS FOR THE PREPARATION OF CHIRAL 2-ARYL MORPHOLINES TAAR1, TAAR5, TACR2 KCNH2 745/4885ADRB3 75/4885BMP1 931/4885

“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.