SCHEMBL17828149

SCHEMBL17828149

CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.42
ATM Q13315 1/20 0.42
TGFBR1 P36897 2/20 0.41
ALDH1A1 P00352 2/20 0.40
USP30 Q70CQ3 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
MTOR P42345 1/20 0.38
NAMPT P43490 1/20 0.38
IDH1 O75874 1/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
TBK1 Q9UHD2 1/20 0.36

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
SCHEMBL17820218 0.97 PIK3C3 (0.40) PIK3C3ATMTGFBR1ALDH1A1USP30
SCHEMBL17828147 0.96 USP30 (0.42) PIK3C3ATMTGFBR1ALDH1A1USP30
SCHEMBL17828148 0.94 PIK3C3 (0.42) PIK3C3ATMTGFBR1USP30PIM1
SCHEMBL17828146 0.92 GAA (0.41) PIK3C3ATMTGFBR1USP30PIM1
SCHEMBL17819543 0.90 PIK3C3 (0.41) PIK3C3ATMALDH1A1NAMPT
SCHEMBL17828158 0.90 PIK3C3 (0.40) PIK3C3ATMTGFBR1ALDH1A1USP30
SCHEMBL17819767 0.90 PIK3C3 (0.43) PIK3C3ATMMAPTPIM1PIM2
SCHEMBL17820057 0.89 PIK3C3 (0.42) PIK3C3ATM
SCHEMBL17828197 0.88 ALDH1A1 (0.39) TGFBR1ALDH1A1USP30NPC1MAPT
SCHEMBL17907115 0.88 PIK3C3 (0.46) PIK3C3ATM

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

“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.