SCHEMBL17820452

SCHEMBL17820452

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cncc(C5CCCC5)c4)cc2C3)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.39
PIK3C3 Q8NEB9 11/20 0.39
ATR Q13535 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
PRKDC P78527 1/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
AKT1 P31749 1/20 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
SCHEMBL17819505 0.97 PIK3C3 (0.40) ATMPIK3C3ATRKDM4EMAPT
SCHEMBL17907063 0.90 PIK3C3 (0.41) ATMPIK3C3ATRKDM4EMAPT
SCHEMBL17820528 0.90 PIK3C3 (0.41) ATMPIK3C3ATRKDM4EMAPT
SCHEMBL17906635 0.90 ATM (0.37) ATMPIK3C3ATRKDM4EMAPT
SCHEMBL17907094 0.89 PIK3C3 (0.42) ATMPIK3C3KDM4EMAPTALOX12
SCHEMBL17820024 0.89 PIK3C3 (0.43) ATMPIK3C3KDM4EMAPTALOX12
SCHEMBL17906920 0.88 ATM (0.40) ATMPIK3C3KDM4EMAPTALOX12
SCHEMBL17820898 0.88 PIK3C3 (0.41) ATMPIK3C3KDM4EMAPTALOX12
SCHEMBL17820443 0.88 PIK3C3 (0.40) ATMPIK3C3KDM4EMAPTALOX12
SCHEMBL17906668 0.88 PIK3C3 (0.40) ATMPIK3C3KDM4EMAPTALOX12

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 2 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-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 3047/4885ATR 1664/4885

“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.