SCHEMBL17819587

SCHEMBL17819587

CC(C)(C)OC(=O)N1C(COCc2ccccc2)COC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
KLK7 P49862 2/20 0.40
HTR2C P28335 1/20 0.39
BRD4 O60885 1/20 0.38
ABCB1 P08183 1/20 0.38
TACR1 P25103 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
PARP1 P09874 1/20 0.38
KLK5 Q9Y337 1/20 0.38
NR1D1 P20393 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
STS P08842 1/20 0.38
CTSS P25774 1/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL16545983 1.00 SPHK1 (0.41) SPHK1KLK7HTR2CBRD4ABCB1
SCHEMBL29129206 0.89 SPHK1 (0.40) SPHK1BRD4PARP1CTSSKMT2A
SCHEMBL1836163 0.89 SPHK1 (0.42) SPHK1KLK7HTR2CBRD4TACR1
SCHEMBL1836162 0.89 SPHK1 (0.42) SPHK1KLK7HTR2CBRD4TACR1
SCHEMBL8560670 0.86 KLK7 (0.39) SPHK1KLK7HTR2CBRD4TACR1
SCHEMBL27745853 0.86 L3MBTL1 (0.45) SPHK1KLK7GPR119STSKDM4E
SCHEMBL13040194 0.86 L3MBTL1 (0.45) SPHK1KLK7GPR119STSKDM4E
SCHEMBL8560675 0.86 KLK7 (0.39) SPHK1KLK7HTR2CBRD4TACR1
SCHEMBL3612721 0.85 SPHK1 (0.44) SPHK1BRD4ABCB1OPRD1OPRK1
SCHEMBL19357528 0.85 SPHK1 (0.44) SPHK1BRD4ABCB1OPRD1OPRK1

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 4 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
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 SPHK1 2999/4885KLK7 2888/4885HTR2C 1757/4885

“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.