SCHEMBL17820146

SCHEMBL17820146

O=C(O)N1CCCC(Nc2ccc3c(c2)Cc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 12/20 0.40
ATM Q13315 9/20 0.40
GAA P10253 2/20 0.35
BTK Q06187 1/20 0.33
ATR Q13535 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PRKDC P78527 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
SCHEMBL17820057 0.97 PIK3C3 (0.42) PIK3C3ATMATR
SCHEMBL17820553 0.94 PIK3C3 (0.40) PIK3C3ATMGAABTKNPC1
SCHEMBL17820263 0.93 PIK3C3 (0.41) PIK3C3ATMGAABTK
SCHEMBL17819767 0.91 PIK3C3 (0.43) PIK3C3ATM
SCHEMBL17820618 0.90 PIK3C3 (0.43) PIK3C3ATMGAAPRKDC
SCHEMBL17820218 0.90 PIK3C3 (0.40) PIK3C3ATMGAANPC1RAB9A
SCHEMBL17819894 0.90 PIK3C3 (0.43) PIK3C3ATM
SCHEMBL17819895 0.88 PIK3C3 (0.42) PIK3C3ATMGAAATR
SCHEMBL17819898 0.88 PIK3C3 (0.42) PIK3C3ATMGAAATR
SCHEMBL17907115 0.88 PIK3C3 (0.46) 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 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 PIK3C3 3047/4885ATM 3209/4885GAA 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.