SCHEMBL17820823

SCHEMBL17820823

O=c1cc(N2CCOCC2)cc(-c2cccc3c2Sc2ccc(NC4CCN(C5CCCCC5)C4)cc2S3)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 12/20 0.46
PIK3C3 Q8NEB9 9/20 0.46
PRKDC P78527 3/20 0.41
PIK3CA P42336 2/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATR Q13535 1/20 0.33

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
SCHEMBL17906618 0.99 ATM (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819605 0.96 ATM (0.45) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17907052 0.96 PIK3C3 (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819701 0.95 PIK3C3 (0.47) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819799 0.93 PIK3C3 (0.46) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17819589 0.92 PIK3C3 (0.45) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17907077 0.92 PIK3C3 (0.49) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820532 0.91 PIK3C3 (0.45) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820417 0.89 PIK3C3 (0.44) ATMPIK3C3PRKDCPIK3CAPIK3CB
SCHEMBL17820297 0.89 PIK3C3 (0.49) ATMPIK3C3PRKDCPIK3CAPIK3CB

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 3209/4885PIK3C3 3047/4885PRKDC 2760/4885

“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.