SCHEMBL17819877

SCHEMBL17819877

COCCC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.49
HSD11B2 P80365 1/20 0.39
BRD4 O60885 1/20 0.36
HCRTR2 O43614 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
NR1H2 P55055 1/20 0.31
NAMPT P43490 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL10211186 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL16545981 1.00 SPHK1 (0.49) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL18595256 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL30699286 0.92 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL17244141 0.88 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL10211309 0.88 SPHK1 (0.51) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL31362554 0.87 SPHK1 (0.47) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL15209134 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL15209132 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2
SCHEMBL1068504 0.86 SPHK1 (0.48) SPHK1HSD11B2BRD4HCRTR2CHRM2

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 5 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-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-06-15 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 2999/4885HSD11B2 1812/4885BRD4 221/4885
US-20170166571-A1 TREATMENT OF H. PYLORI INFECTIONS USING MTAN INHIBITORS MTAP, PNP, UNG SPHK1 3541/4885HSD11B2 2863/4885BRD4 3050/4885

“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.