SCHEMBL17828211

SCHEMBL17828211

CC(C)(C)OC(=O)N1CCCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.39
PIK3C3 Q8NEB9 2/20 0.38
ATM Q13315 1/20 0.38
USP30 Q70CQ3 1/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
PIM1 P11309 3/20 0.36
PIM2 Q9P1W9 3/20 0.36
GPR119 Q8TDV5 3/20 0.36
VCP P55072 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL17820335 0.97 TGFBR1 (0.41) TGFBR1PIK3C3ATMUSP30ALDH1A1
SCHEMBL17820420 0.95 GAA (0.41) TGFBR1PIK3C3ATMUSP30NPC1
SCHEMBL17828210 0.94 USP30 (0.42) TGFBR1PIK3C3ATMUSP30ALDH1A1
SCHEMBL17821023 0.90 PIK3C3 (0.40) PIK3C3ATMALDH1A1NPC1RAB9A
SCHEMBL17820218 0.88 PIK3C3 (0.40) TGFBR1PIK3C3ATMUSP30ALDH1A1
SCHEMBL17820261 0.87 PIK3C3 (0.42) PIK3C3ATMALDH1A1GAA
SCHEMBL17821004 0.86 PIK3C3 (0.40) PIK3C3ATMNPC1RAB9AGAA
SCHEMBL17828052 0.85 ATM (0.47) TGFBR1PIK3C3ATMUSP30ALDH1A1
SCHEMBL17819991 0.85 PIK3C3 (0.45) PIK3C3ATMALDH1A1GAA
SCHEMBL17828149 0.85 PIK3C3 (0.42) TGFBR1PIK3C3ATMUSP30ALDH1A1

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 TGFBR1 663/4885PIK3C3 3047/4885ATM 3209/4885

“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.