SCHEMBL22491367

SCHEMBL22491367

O=C1COc2ccc(C(=O)N3CCC([C@H](c4ccc(F)cc4)c4ccc(OCCOCCF)cc4)CC3)cc2N1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.54
▸ NR3C2 P08235 13/20 0.45
▸ NR3C1 P04150 9/20 0.45
▸ PGR P06401 3/20 0.45
▸ MAPT P10636 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL29734473 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491402 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL29734515 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491370 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL29734474 1.00 MGLL (0.54) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491341 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL29734397 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491416 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491384 0.96 MGLL (0.56) MGLLNR3C2NR3C1PGRMAPT
SCHEMBL22491338 0.94 MGLL (0.49) MGLLNR3C2NR3C1PGRMAPT

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
US-11420961-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2022-08-23 — — US claimed
EP-3717477-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2022-07-20 — — EP claimed
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 MGLL 1532/4885NR3C2 2484/4885NR3C1 3049/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885NR3C2 2484/4885NR3C1 3049/4885

“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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