SCHEMBL17819690

SCHEMBL17819690

COCCN1CCCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 13/20 0.48
PIK3C3 Q8NEB9 5/20 0.48
PIK3CA P42336 2/20 0.40
ROCK2 O75116 1/20 0.37
PRKDC P78527 2/20 0.36
GAA P10253 1/20 0.35
KAT2B Q92831 1/20 0.35
PIK3CB P42338 1/20 0.34
MTOR P42345 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL17820252 0.92 ATM (0.50) ATMPIK3C3PIK3CAPRKDCPIK3CB
SCHEMBL17820660 0.89 PIK3C3 (0.49) ATMPIK3C3PIK3CAPRKDCGAA
SCHEMBL17820182 0.86 ROCK2 (0.46) ATMPIK3C3PIK3CAROCK2
SCHEMBL17820611 0.86 PIK3C3 (0.50) ATMPIK3C3PIK3CAPRKDCGAA
SCHEMBL17820848 0.85 ROCK2 (0.45) ATMPIK3C3PIK3CAROCK2PRKDC
SCHEMBL17819799 0.85 PIK3C3 (0.46) ATMPIK3C3PIK3CAROCK2PRKDC
SCHEMBL17907052 0.85 PIK3C3 (0.46) ATMPIK3C3PIK3CAROCK2PRKDC
SCHEMBL17907015 0.84 ROCK2 (0.46) ATMPIK3C3ROCK2
SCHEMBL17820532 0.84 PIK3C3 (0.45) ATMPIK3C3PIK3CAROCK2PRKDC
SCHEMBL17820792 0.84 PIK3C3 (0.45) ATMPIK3C3PIK3CAPRKDCGAA

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP 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-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
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 3047/4885PIK3CA 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.