SCHEMBL17820993

SCHEMBL17820993

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

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 5/20 0.34
AKT1 P31749 8/20 0.34
PIK3CD O00329 4/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CB P42338 4/20 0.34
MAPK11 Q15759 1/20 0.32
MAPK15 Q8TD08 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
RAC1 P63000 1/20 0.32
GPR183 P32249 1/20 0.32
ATM Q13315 2/20 0.32
EPHX2 P34913 1/20 0.32
CYP3A4 P08684 3/20 0.32
PIK3CG P48736 3/20 0.32

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
SCHEMBL17828197 0.90 ALDH1A1 (0.39) PIK3CA
SCHEMBL17820942 0.89 PIK3C3 (0.36) PIK3C3AKT1PIK3CDPIK3CAPIK3CB
SCHEMBL17820057 0.87 PIK3C3 (0.42) PIK3C3HRH3ATMEPHX2
SCHEMBL17820146 0.84 PIK3C3 (0.40) PIK3C3ATM
SCHEMBL17820263 0.82 PIK3C3 (0.41) PIK3C3ATM
SCHEMBL17819804 0.82 ATM (0.39) PIK3C3HRH3ATMCYP3A4
SCHEMBL17819824 0.81 PIK3C3 (0.41) PIK3C3PIK3CDPIK3CBATM
SCHEMBL17819767 0.80 PIK3C3 (0.43) PIK3C3HRH3ATM
SCHEMBL17820618 0.80 PIK3C3 (0.43) PIK3C3ATM
SCHEMBL17820553 0.78 PIK3C3 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP 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

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 3047/4885AKT1 1185/4885PIK3CD 4728/4885

“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.