SCHEMBL17828015

SCHEMBL17828015

CC(CN1CCN(C(=O)OC(C)(C)C)CC1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.45
PIK3C3 Q8NEB9 3/20 0.45
PIK3CA P42336 2/20 0.42
TGFBR1 P36897 1/20 0.37
PRKDC P78527 3/20 0.35
AKT1 P31749 3/20 0.34
MTOR P42345 2/20 0.34
USP30 Q70CQ3 1/20 0.34
PIK3CB P42338 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TBK1 Q9UHD2 2/20 0.33
VCP P55072 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL17820036 0.91 ATM (0.46) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17819636 0.89 ATM (0.51) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17819772 0.88 ATM (0.50) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17821066 0.88 ATM (0.48) ATMPIK3C3PIK3CAPRKDCMTOR
SCHEMBL17821035 0.88 ATM (0.49) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17820212 0.88 ATM (0.49) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17907125 0.87 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17819743 0.86 PIK3C3 (0.48) ATMPIK3C3PIK3CAPRKDCAKT1
SCHEMBL17828052 0.86 ATM (0.47) ATMPIK3C3PIK3CATGFBR1PRKDC
SCHEMBL17820361 0.86 ATM (0.48) ATMPIK3C3PIK3CAPRKDCAKT1

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 ATM 3209/4885PIK3C3 3047/4885PIK3CA 4857/4885

“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.