SCHEMBL20151854

SCHEMBL20151854

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
BCL2A1 Q16548 3/20 0.37
ACLY P53396 1/20 0.36
NR1H3 Q13133 1/20 0.35
HRH1 P35367 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
BCHE P06276 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSP90AA1 P07900 1/20 0.34
AHCY P23526 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
SCHEMBL20137099 0.88 LMNA (0.41) NR1D1BCL2A1ACLYNR1H3SMN1; SMN2
SCHEMBL20137405 0.87 BCL2A1 (0.38) NR1D1BCL2A1ACLYBCHEALDH1A1
SCHEMBL28880216 0.78 BCL2A1 (0.41) BCL2A1HSP90AA1
SCHEMBL20150068 0.77 TSPO (0.39) NR1D1BCHEALDH1A1HTT
SCHEMBL20137411 0.74 LTB4R2 (0.40) NR1D1NR1H3BCHE
SCHEMBL20151855 0.74 MGLL (0.54)
SCHEMBL20137127 0.73 BMP1 (0.37) NR1D1
SCHEMBL28699408 0.70 LMNA (0.44) HRH1HRH4SMN1; SMN2ALDH1A1HTT
SCHEMBL20151851 0.67 PPARD (0.33) NR1D1
SCHEMBL20151838 0.67 PPARG (0.39) BCHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180134674-A1 MAGL INHIBITORS MAG, MAGI3, MGLL NR1D1 2645/4885SIGMAR1 666/4885BCL2A1 3623/4885

“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.