SCHEMBL17827864

SCHEMBL17827864

CC(C)(C)OC(=O)Nc1ccc2c(c1)Oc1cccc(Br)c1C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
NR1I3 Q14994 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
RORC P51449 8/20 0.38
SIRT2 Q8IXJ6 3/20 0.38
SIRT1 Q96EB6 2/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 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
SCHEMBL17827852 0.85 NR1I3 (0.41) CA12CA1CA9NR1I3HDAC3
SCHEMBL22426061 0.85 CA12 (0.48) CA12CA1CA9NR1I3RORC
SCHEMBL17827845 0.81 SIRT2 (0.38) CA12CA1CA9NR1I3RORC
SCHEMBL17827825 0.76 SIRT2 (0.40) CA12CA1CA9NR1I3HDAC3
SCHEMBL17831353 0.75 NPC1 (0.38) MEN1NPC1HTTRAB9AKMT2A
SCHEMBL17827841 0.74 NR1I3 (0.43) CA12CA1CA9NR1I3HDAC3
SCHEMBL29029431 0.72 HDAC3 (0.56) CA12CA1CA9HDAC3HDAC1
SCHEMBL17827828 0.72 RORC (0.41) RORC
SCHEMBL17827851 0.71 SIRT2 (0.38) CA12CA1CA9NR1I3RORC
SCHEMBL1114945 0.70 RAB9A (0.56) CA12CA1CA9NR1I3NPC1

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 CA12 2971/4885CA1 2132/4885CA9 3591/4885

“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.