SCHEMBL20137129

SCHEMBL20137129

CCOC(=O)C(C)(C)C#Cc1c(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc(C)c1F

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 12/20 0.63
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ VEGFA P15692 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MPI P34949 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL29561155 0.90 MGLL (0.77) MGLLALDH1A1KDM4EPOLBVEGFA
SCHEMBL20137101 0.90 MGLL (0.77) MGLLALDH1A1KDM4EPOLBVEGFA
SCHEMBL20137059 0.80 MGLL (0.56) MGLLALDH1A1KDM4EPOLBMAPT
SCHEMBL20137135 0.79 MGLL (0.51) MGLLALDH1A1KDM4EPOLBTDP1
SCHEMBL20137050 0.78 VEGFA (0.54) MGLLALDH1A1KDM4EPOLBVEGFA
SCHEMBL20136981 0.77 MGLL (1.00) MGLL
SCHEMBL20151787 0.76 MGLL (0.85) MGLL
SCHEMBL20136985 0.73 MGLL (0.62) MGLLALDH1A1KDM4EPOLBVEGFA
SCHEMBL30476377 0.72 ALDH1A1 (0.58) MGLLALDH1A1KDM4EPOLBVEGFA
SCHEMBL20818719 0.72 ALDH1A1 (0.58) MGLLALDH1A1KDM4EPOLBVEGFA

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
CN-110267963-B MAGL inhibitors H.隆德贝克有限公司 2022-04-01 — — CN disclosed
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
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 MGLL 3/4885ALDH1A1 4349/4885KDM4E 984/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL MGLL 3/4885ALDH1A1 4349/4885KDM4E 984/4885

“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.

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