SCHEMBL17828197

SCHEMBL17828197

CC(C)(C)OC(=O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TGFBR1 P36897 1/20 0.38
USP30 Q70CQ3 2/20 0.38
GPR119 Q8TDV5 8/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MTOR P42345 2/20 0.35
PIK3CA P42336 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
IDH1 O75874 1/20 0.34

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
SCHEMBL17820993 0.90 PIK3C3 (0.34) PIK3CA
SCHEMBL17828149 0.88 PIK3C3 (0.42) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL17820218 0.85 PIK3C3 (0.40) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL17820942 0.85 PIK3C3 (0.36) PIK3CA
SCHEMBL17828147 0.84 USP30 (0.42) ALDH1A1NPC1RAB9AMAPTMAPK1
SCHEMBL17828148 0.82 PIK3C3 (0.42) TGFBR1USP30GPR119MTORPIK3CA
SCHEMBL17819804 0.81 ATM (0.39) ALDH1A1RAB9AMAPTMAPK1HTT
SCHEMBL17828146 0.80 GAA (0.41) TGFBR1USP30MTORTBK1
SCHEMBL17828158 0.78 PIK3C3 (0.40) ALDH1A1MAPTTGFBR1USP30MTOR
SCHEMBL17819543 0.78 PIK3C3 (0.41) ALDH1A1

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 ALDH1A1 2519/4885NPC1 3926/4885RAB9A 757/4885

“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.