SCHEMBL22491497

SCHEMBL22491497

O=C1COc2ccc(C(=O)N3CCC(c4cc5ccccc5[nH]4)CC3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 10/20 0.51
MGLL Q99685 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.44
HSD11B1 P28845 1/20 0.44
NR3C1 P04150 1/20 0.43
SMYD3 Q9H7B4 1/20 0.43

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
SCHEMBL22491519 0.88 MGLL (0.51) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL29734572 0.88 MGLL (0.51) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL531974 0.83 PARP1 (0.62) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL22491570 0.80 ALDH1A1 (0.53) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL22491346 0.80 NR3C2 (0.49) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL29734574 0.80 NR3C2 (0.49) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL30541695 0.79 MGLL (0.54) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL21061846 0.79 MGLL (0.54) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL30541688 0.78 NR3C2 (0.56) NR3C2MGLLLMNAALDH1A1GAA
SCHEMBL21097482 0.78 NR3C2 (0.56) NR3C2MGLLLMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US claimed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP claimed
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 US disclosed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 EP disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
US-20200392125-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-12-17 US disclosed
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP 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-11420961-B2 Heterocyclic compounds LPXN, MLX, CCNY NR3C2 2484/4885MGLL 1532/4885LMNA 16/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY NR3C2 2484/4885MGLL 1532/4885LMNA 16/4885

“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.