SCHEMBL20137101

SCHEMBL20137101

Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c(C#CC(C)(C)C(=O)O)c1F

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 14/20 0.77
▸ ALDH1A1 P00352 2/20 0.41
▸ VEGFA P15692 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ IDO2 Q6ZQW0 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM4 P08173 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38

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 1.00 MGLL (0.77) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL20137129 0.90 MGLL (0.63) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL20136981 0.87 MGLL (1.00) MGLL
SCHEMBL20151787 0.86 MGLL (0.85) MGLL
SCHEMBL20137094 0.83 MGLL (0.66) MGLLALDH1A1KDM4ECHRM2
SCHEMBL29562063 0.83 MGLL (0.66) MGLLALDH1A1KDM4ECHRM2
SCHEMBL20137050 0.80 VEGFA (0.54) MGLLALDH1A1VEGFAEGLN1KDM4E
SCHEMBL29561177 0.78 MGLL (0.59) MGLL
SCHEMBL20137131 0.78 MGLL (0.59) MGLL
SCHEMBL20137033 0.75 MGLL (0.57) MGLLALDH1A1VEGFAEGLN1

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

“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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