SCHEMBL22491330

SCHEMBL22491330

O=C1COc2ccc(C(=O)N3CCC([C@@H](c4ccccc4)c4ccc(OCCF)cc4)CC3)cc2N1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.51
▸ ALDH1A1 P00352 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.46
▸ NR3C2 P08235 7/20 0.44
▸ GAA P10253 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ NR3C1 P04150 2/20 0.41
▸ PGR P06401 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CPT2 P23786 1/20 0.41
▸ CPT1A P50416 1/20 0.41
▸ CPT1B Q92523 1/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL29734498 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491329 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491569 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734402 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734429 1.00 MGLL (0.51) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22773214 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL29734599 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491392 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491338 0.96 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2
SCHEMBL22491442 0.94 MGLL (0.49) MGLLALDH1A1MAPTRXFP1NR3C2

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 1532/4885ALDH1A1 231/4885MAPT 3857/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885ALDH1A1 231/4885MAPT 3857/4885

“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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