SCHEMBL17820251

SCHEMBL17820251

COc1ccc(CCN2CCCC(Nc3ccc4c(c3)Sc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 9/20 0.44
PIK3C3 Q8NEB9 2/20 0.44
KCNH2 Q12809 1/20 0.36
MAPT P10636 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ROCK2 O75116 3/20 0.34
RAB9A P51151 1/20 0.34
CCR2 P41597 1/20 0.34
ROCK1 Q13464 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 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
SCHEMBL17820629 0.93 PIK3C3 (0.39) ATMPIK3C3MAPTALDH1A1GAA
SCHEMBL17819826 0.90 PIK3C3 (0.41) ATMPIK3C3MAPTALDH1A1GAA
SCHEMBL17828212 0.88 PIK3C3 (0.40) ATMPIK3C3MAPTALDH1A1GAA
SCHEMBL17820154 0.87 PIK3C3 (0.41) ATMPIK3C3MAPTALDH1A1GAA
SCHEMBL17819892 0.86 ATM (0.54) ATMPIK3C3KCNH2MAPTADRA1D
SCHEMBL17819991 0.84 PIK3C3 (0.45) ATMPIK3C3ALDH1A1GAA
SCHEMBL17821023 0.81 PIK3C3 (0.40) ATMPIK3C3ALDH1A1GAARAB9A
SCHEMBL17820396 0.81 PIK3C3 (0.42) ATMPIK3C3
SCHEMBL17820826 0.81 PIK3C3 (0.44) ATMPIK3C3
SCHEMBL17821055 0.80 PIK3C3 (0.40) ATMPIK3C3MAPTALDH1A1GAA

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 8 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-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
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP 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
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 3047/4885KCNH2 463/4885

“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.