SCHEMBL17827841

SCHEMBL17827841

CC(C)(C)OC(=O)Nc1ccc2c(c1)CCc1cccc(Br)c1O2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 5/20 0.43
SIRT2 Q8IXJ6 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
NPC1 O15118 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
DRD2 P14416 1/20 0.39
LIPE Q05469 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
RORC P51449 5/20 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

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) NR1I3SIRT2SIRT1CA12CA1
SCHEMBL17827852 0.85 NR1I3 (0.41) NR1I3SIRT2MEN1KMT2ASIRT1
SCHEMBL17820007 0.83 TRPM8 (0.40) MEN1KMT2ANPC1HTTRAB9A
SCHEMBL17827863 0.81 SIRT2 (0.40) NR1I3SIRT2MEN1KMT2ASIRT1
SCHEMBL6344060 0.80 CA12 (0.47) NR1I3SIRT2SIRT1DRD2LIPE
SCHEMBL17827836 0.80 CA12 (0.41) SIRT2SIRT1NPC1HTTRAB9A
SCHEMBL17827850 0.79 RORC (0.41) CA12CA1CA9RORC
SCHEMBL17827828 0.78 RORC (0.41) RORC
SCHEMBL30148404 0.75 CA12 (0.52) NR1I3NPC1HTTRAB9ACA12
SCHEMBL16716142 0.75 CA12 (0.52) NR1I3NPC1HTTRAB9ACA12

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 171/4885SIRT2 1326/4885MEN1 772/4885

“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.