SCHEMBL17827833

SCHEMBL17827833

CC(C)(C)OC(=O)Nc1ccc2c(c1)Cc1cccc(B3OC(C)(C)C(C)(C)O3)c1O2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.40
SIRT1 Q96EB6 2/20 0.40
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NR1I3 Q14994 5/20 0.35
RORC P51449 6/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
CYP17A1 P05093 1/20 0.34

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
SCHEMBL17827851 0.93 SIRT2 (0.38) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17827863 0.93 SIRT2 (0.40) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17827831 0.88 CA12 (0.37) SIRT2SIRT1HCRTR1HCRTR2RORC
SCHEMBL17827853 0.87 RORC (0.38) SIRT2SIRT1RORC
SCHEMBL17819797 0.86 CYP1A2 (0.34) CA1CA9
SCHEMBL17831354 0.82 AAK1 (0.35) HCRTR1HCRTR2PRMT5WDR77
SCHEMBL17827825 0.81 SIRT2 (0.40) SIRT2SIRT1NR1I3RORCCA12
SCHEMBL3165587 0.80 ATM (0.38) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17827845 0.79 SIRT2 (0.38) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17820895 0.78 CYP1A2 (0.34) CA12CA1CA9

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-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 SIRT2 1326/4885SIRT1 1475/4885HCRTR1 320/4885

“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.