SCHEMBL22491381

SCHEMBL22491381

O=C1CCc2c(cc(C(=O)N3CCC(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc2OCCF)N1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35
▸ DRD2 P14416 3/20 0.35
▸ DRD4 P21917 3/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ IKZF3 Q9UKT9 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SLC18A3 Q16572 2/20 0.34
▸ HTR1A P08908 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
SCHEMBL22773209 0.92 DRD2 (0.39) MGLLSMYD3DRD2DRD4DRD3
SCHEMBL22773249 0.89 KCNH2 (0.42) SMYD3KCNH2SLC6A3MAPTHTT
SCHEMBL22491371 0.79 NR3C1 (0.44) MGLLSMYD3KCNH2MAPTHTT
SCHEMBL29734397 0.78 MGLL (0.56) MGLLMAPT
SCHEMBL22491416 0.78 MGLL (0.56) MGLLMAPT
SCHEMBL22491384 0.78 MGLL (0.56) MGLLMAPT
SCHEMBL22491341 0.78 MGLL (0.56) MGLLMAPT
SCHEMBL29734494 0.75 MGLL (0.53) MGLL
SCHEMBL29734492 0.75 MGLL (0.53) MGLL
SCHEMBL22491402 0.74 MGLL (0.54) MGLLMAPT

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 1532/4885SMYD3 1397/4885KCNH2 578/4885
US-20200392125-A1 HETEROCYCLIC COMPOUNDS LPXN, MLX, CCNY MGLL 1532/4885SMYD3 1397/4885KCNH2 578/4885

“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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