SCHEMBL20137405

SCHEMBL20137405

COc1ccc(CN(CCCC(=O)OC(C)(C)C)c2cc(Cl)ccc2C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCL2A1 Q16548 4/20 0.38
BCHE P06276 2/20 0.36
NR1D1 P20393 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACLY P53396 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL20150068 0.90 TSPO (0.39) BCHENR1D1ALDH1A1MEN1KMT2A
SCHEMBL28880216 0.87 BCL2A1 (0.41) BCL2A1HSP90AA1MEN1KMT2APTGDR2
SCHEMBL20151854 0.87 NR1D1 (0.39) BCL2A1BCHENR1D1ALDH1A1HSP90AA1
SCHEMBL20137411 0.87 LTB4R2 (0.40) BCHENR1D1
SCHEMBL20137099 0.84 LMNA (0.41) BCL2A1NR1D1ALDH1A1KMT2AACLY
SCHEMBL20151842 0.79 PPARD (0.36) ALDH1A1MEN1KMT2A
SCHEMBL20151838 0.78 PPARG (0.39) BCHEALDH1A1MEN1KMT2AACHE
SCHEMBL20137037 0.76 KDM4E (0.38) ALDH1A1MEN1KMT2A
SCHEMBL25802749 0.76 TSPO (0.46) BCL2A1BCHENR1D1ACHE
SCHEMBL3506606 0.76 SMN1; SMN2 (0.38) BCL2A1BCHENR1D1ALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541822-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2022-01-19 EP disclosed
EP-3541822-B1 MAGL INHIBITORS H LUNDBECK AS (DK) 2022-01-19 EP disclosed
EP-3541822-A1 MAGL INHIBITORS Abide Therapeutics, Inc. (US) 2019-09-25 EP disclosed
US-9981930-B1 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
US-9981930-B1 MAGL inhibitors ABIDE THERAPEUTICS, INC. (US) 2018-05-29 US disclosed
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
WO-2018093946-A1 MAGL INHIBITORS ABIDE THERAPEUTICS, INC. (US) 2018-05-24 WO disclosed
US-20180134675-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2018-05-17 US disclosed
US-20180134675-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 (1 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-20180134675-A1 MAGL INHIBITORS MAG, MAGI3, MGLL BCL2A1 3623/4885BCHE 1310/4885NR1D1 2645/4885

“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.