SCHEMBL22491358

SCHEMBL22491358

COc1cc(C(c2ccccc2)C2CCN(C(=O)c3ccc4c(c3)NC(=O)CO4)CC2)ccc1OCCF

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.46
▸ MAPT P10636 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ NR3C2 P08235 8/20 0.42
▸ NR3C1 P04150 3/20 0.41
▸ LMNA P02545 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ HTR2A P28223 1/20 0.39

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
SCHEMBL29734497 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491401 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734507 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491356 1.00 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491372 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734631 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734348 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491369 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL22491325 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2
SCHEMBL29734495 0.97 MGLL (0.50) MGLLALDH1A1MAPTPOLBNR3C2

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 8 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
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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