SCHEMBL17827845

SCHEMBL17827845

CC(C)(C)OC(=O)Nc1ccc2c(c1)Oc1cccc(B3OC(C)(C)C(C)(C)O3)c1C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 2/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
NR1I3 Q14994 5/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
RORC P51449 5/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 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
SCHEMBL17827851 0.87 SIRT2 (0.38) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17819981 0.86 CA1 (0.34) CA12CA1CA9CA2CA4
SCHEMBL17827864 0.81 CA12 (0.39) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL17827833 0.79 SIRT2 (0.40) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL22426061 0.79 CA12 (0.48) NR1I3CA12CA1CA9RORC
SCHEMBL17831354 0.78 AAK1 (0.35) HCRTR1HCRTR2
SCHEMBL17827863 0.77 SIRT2 (0.40) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL3165587 0.75 ATM (0.38) SIRT2SIRT1HCRTR1HCRTR2NR1I3
SCHEMBL31061614 0.74 ALDH1A1 (0.48) CA12CA1CA9RORCCYP2C19
SCHEMBL65972 0.74 ALDH1A1 (0.48) CA12CA1CA9RORCCYP2C19

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 4 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
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.