SCHEMBL20137135

SCHEMBL20137135

CCOC(=O)C(C)(C)C#Cc1c(CN2CCN(C(=O)O)C(C(C)(C)C)C2)ccc(C)c1F

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 7/20 0.51
▸ ALDH1A1 P00352 6/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL20137129 0.79 MGLL (0.63) MGLLALDH1A1KDM4EPOLBTDP1
SCHEMBL20168791 0.73 MGLL (0.47) MGLLPTGDR2
SCHEMBL29561155 0.70 MGLL (0.77) MGLLALDH1A1KDM4EPOLB
SCHEMBL20137101 0.70 MGLL (0.77) MGLLALDH1A1KDM4EPOLB
SCHEMBL20137094 0.70 MGLL (0.66) MGLLALDH1A1NPSR1KDM4ETDP1
SCHEMBL29562063 0.70 MGLL (0.66) MGLLALDH1A1NPSR1KDM4ETDP1
SCHEMBL28712188 0.67 MGLL (0.49) MGLLALDH1A1MAPK1NPSR1KDM4E
SCHEMBL20151787 0.67 MGLL (0.85) MGLL
SCHEMBL28518232 0.66 KDM4E (0.34) ALDH1A1MAPK1KDM4ETDP1SMN1; SMN2
SCHEMBL3773661 0.66 AGTR2 (0.50) ALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10093635-B2 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-10-09 — — 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 4349/4885MAPK1 2543/4885
US-10093635-B2 MAGL inhibitors MAG, MAGI3, MGLL MGLL 3/4885ALDH1A1 4349/4885MAPK1 2543/4885

“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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