SCHEMBL17827852

SCHEMBL17827852

CC(C)(C)OC(=O)Nc1ccc2c(c1)Oc1c(Br)cccc1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 5/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
CYP17A1 P05093 1/20 0.38
MMP8 P22894 2/20 0.38
MMP3 P08254 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
DRD2 P14416 1/20 0.37
LIPE Q05469 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 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
SCHEMBL17827825 0.91 SIRT2 (0.40) NR1I3CA12CA1CA9HDAC3
SCHEMBL17827841 0.85 NR1I3 (0.43) NR1I3CA12CA1CA9HDAC3
SCHEMBL17827864 0.85 CA12 (0.39) NR1I3CA12CA1CA9HDAC3
SCHEMBL22426061 0.85 CA12 (0.48) NR1I3CA12CA1CA9CYP17A1
SCHEMBL17820115 0.83 RAB9A (0.39) CA12CA1CA9MEN1NPC1
SCHEMBL17827851 0.81 SIRT2 (0.38) NR1I3CA12CA1CA9PRMT5
SCHEMBL17831353 0.79 NPC1 (0.38) PRMT5WDR77DRD2LIPEMEN1
SCHEMBL17827836 0.77 CA12 (0.41) CA12CA1CA9HDAC3HDAC1
SCHEMBL17827847 0.77 RORC (0.40) CA12CA1CA9MMP8MMP3
SCHEMBL17827850 0.77 RORC (0.41) CA12CA1CA9MMP8MMP3

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 NR1I3 171/4885CA12 2971/4885CA1 2132/4885

“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.