SCHEMBL17820705

SCHEMBL17820705

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccc(CO)cc5)CC4)cc2C3)[nH]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 8/20 0.38
ATM Q13315 8/20 0.38
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA4 P22748 3/20 0.34
CA5A P35218 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA13 Q8N1Q1 3/20 0.34
CA14 Q9ULX7 3/20 0.34
SYK P43405 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
ROCK2 O75116 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL17820759 0.94 ATM (0.39) PIK3C3ATMCA12CA1CA2
SCHEMBL17819568 0.94 PIK3C3 (0.42) PIK3C3ATMCA12CA1CA2
SCHEMBL17819770 0.93 ATM (0.38) PIK3C3ATMCA12CA1CA2
SCHEMBL17828194 0.93 ATM (0.40) PIK3C3ATMCA12CA1CA2
SCHEMBL17819635 0.93 PIK3C3 (0.42) PIK3C3ATMCA12CA1CA2
SCHEMBL17819742 0.93 PIK3C3 (0.37) PIK3C3ATMCA12CA1CA2
SCHEMBL17819397 0.93 PIK3C3 (0.39) PIK3C3ATMCA12CA1CA2
SCHEMBL17820127 0.92 PIK3C3 (0.38) PIK3C3ATMCA12CA1CA2
SCHEMBL17819859 0.92 KCNH2 (0.39) PIK3C3ATMCA12CA1CA2
SCHEMBL17819542 0.91 ATM (0.41) PIK3C3ATMCA12CA1CA2

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
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

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 3209/4885CA12 2971/4885

“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.