SCHEMBL20137127

SCHEMBL20137127

COc1ccc(CN(CCOCC(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2C=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.37
CSNK1D P48730 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
NR1D1 P20393 1/20 0.34
SLC2A1 P11166 1/20 0.34
CNR2 P34972 1/20 0.34
ENPP2 Q13822 1/20 0.34
MAPT P10636 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL20137411 0.88 LTB4R2 (0.40) BMP1CSNK1DLTB4R2NR1D1SLC2A1
SCHEMBL20151851 0.81 PPARD (0.33) NR1D1KDM4E
SCHEMBL20570505 0.80 LTB4R2 (0.42) BMP1CSNK1DLTB4R2PTGDR2
SCHEMBL20137115 0.79 LTB4R2 (0.44) BMP1CSNK1DLTB4R2CNR2ENPP2
SCHEMBL20137037 0.77 KDM4E (0.38) MAPTPOLBKDM4E
Hydrochloric Acid SCHEMBL20137043 0.76 KDM4E (0.37) MAPTPOLBKDM4E
SCHEMBL20137117 0.76 MGLL (0.53)
SCHEMBL20150068 0.75 TSPO (0.39) NR1D1POLBKDM4E
SCHEMBL20137405 0.75 BCL2A1 (0.38) PTGDR2NR1D1
SCHEMBL20168793 0.74 MEN1 (0.34) BMP1ENPP2

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
EP-3541821-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 US disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018093947-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134674-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL BMP1 1329/4885CSNK1D 2554/4885LTB4R2 1924/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL BMP1 1329/4885CSNK1D 2554/4885LTB4R2 1924/4885

“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.