SCHEMBL17820336

SCHEMBL17820336

COc1cccc(CCN2CCC(Nc3ccc4c(c3)Cc3cccc(-c5cc(N6CCOCC6)cc(=O)[nH]5)c3O4)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 8/20 0.47
PIK3C3 Q8NEB9 4/20 0.47
GAA P10253 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL17819508 0.92 ATM (0.39) ATMPIK3C3ALDH1A1
SCHEMBL17819568 0.91 PIK3C3 (0.42) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17819542 0.90 ATM (0.41) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17828194 0.90 ATM (0.40) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17821055 0.89 PIK3C3 (0.40) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17820759 0.89 ATM (0.39) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17819397 0.89 PIK3C3 (0.39) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17820687 0.89 ATM (0.41) ATMPIK3C3GAAALDH1A1MAPT
SCHEMBL17820214 0.89 ATM (0.44) ATMPIK3C3
SCHEMBL17906610 0.89 ATM (0.42) ATMPIK3C3ALDH1A1

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 3047/4885GAA 4389/4885

“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.