SCHEMBL17819652

SCHEMBL17819652

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NCc4cccc(N5CCOCC5)n4)cc2S3)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.48
PIK3C3 Q8NEB9 4/20 0.48
PIK3CA P42336 9/20 0.41
PIK3CB P42338 8/20 0.40
PRKDC P78527 2/20 0.40
MTOR P42345 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP3A4 P08684 2/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CG P48736 2/20 0.37
RPS6KA3 P51812 1/20 0.36
RPS6KA2 Q15349 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
MAP3K8 P41279 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
SCHEMBL17906722 0.92 ATM (0.49) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17819416 0.90 ATM (0.47) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17821092 0.89 ATM (0.46) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820123 0.89 ATM (0.41) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820371 0.89 ATM (0.48) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820480 0.89 ATM (0.47) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820678 0.88 ATM (0.47) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820541 0.87 ATM (0.48) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820228 0.87 ATM (0.47) ATMPIK3C3PIK3CAPIK3CBPRKDC
SCHEMBL17820791 0.87 ATM (0.47) ATMPIK3C3PIK3CAPIK3CBPRKDC

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 ATM 3209/4885PIK3C3 3047/4885PIK3CA 4857/4885

“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.