SCHEMBL17819685

SCHEMBL17819685

O=C(CCN1CCOCC1)Nc1ccc2c(c1)Sc1cccc(-c3cc(N4CCOCC4)cc(=O)[nH]3)c1S2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 7/20 0.62
PIK3CA P42336 3/20 0.62
PIK3C3 Q8NEB9 3/20 0.50
TERT O14746 2/20 0.47
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
PRKDC P78527 3/20 0.41
PIK3CB P42338 2/20 0.41
MTOR P42345 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ATR Q13535 1/20 0.41
GAA P10253 1/20 0.41
NPY5R Q15761 1/20 0.40
PAK1 Q13153 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL17820119 0.95 ATM (0.57) ATMPIK3CAPIK3C3TERTTSHR
SCHEMBL17820242 0.92 ATM (0.56) ATMPIK3CAPIK3C3POLBLMNA
SCHEMBL17820815 0.91 ATM (0.54) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820259 0.91 ATM (0.53) ATMPIK3CAPIK3C3POLBHTT
SCHEMBL17820386 0.91 ATM (0.53) ATMPIK3CAPIK3C3TSHRPRKDC
SCHEMBL17819534 0.90 PIK3CA (0.51) ATMPIK3CAPIK3C3PRKDCPIK3CB
SCHEMBL17820648 0.88 ATM (0.51) ATMPIK3CAPIK3C3LMNAHTT
SCHEMBL17820554 0.87 ATM (0.51) ATMPIK3CAPIK3C3POLBPRKDC
SCHEMBL17820340 0.86 ATM (0.52) ATMPIK3CAPIK3C3POLBHTT
SCHEMBL17820239 0.86 ATM (0.50) ATMPIK3CAPIK3C3POLBPRKDC

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 6 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-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-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 3209/4885PIK3CA 4857/4885PIK3C3 3047/4885

“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.