SCHEMBL30409906

SCHEMBL30409906

O=C1CCC2(CN(C(=O)N3CC4(CN(Cc5ccc(C(F)(F)F)cc5F)C4)C3)C2)N1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.41
▸ PDCD1LG2 Q9BQ51 5/20 0.40
▸ CD274 Q9NZQ7 5/20 0.40
▸ ENPP2 Q13822 3/20 0.38
▸ ATXN2 Q99700 3/20 0.38
▸ FAAH O00519 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.37
▸ USP2 O75604 4/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR183 P32249 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL25146247 0.94 FAAH (0.44) MGLLPDCD1LG2CD274ENPP2ATXN2
SCHEMBL25146284 0.93 ENPP2 (0.42) MGLLPDCD1LG2CD274ENPP2ATXN2
SCHEMBL25146037 0.90 MGLL (0.45) MGLLPDCD1LG2CD274FAAHCYP2D6
SCHEMBL30408413 0.86 MGLL (0.39) MGLLENPP2ATXN2FAAHHDAC6
SCHEMBL30409398 0.85 MGLL (0.39) MGLLPDCD1LG2CD274ENPP2ATXN2
SCHEMBL20695464 0.80 MGLL (0.47) MGLLENPP2ATXN2
SCHEMBL30409293 0.80 FAAH (0.42) MGLLENPP2ATXN2FAAHUSP2
SCHEMBL30409545 0.80 MGLL (0.34) MGLLPDCD1LG2CD274ENPP2ATXN2
SCHEMBL25146079 0.80 FAAH (0.43) ENPP2ATXN2FAAHUSP2HPGD
SCHEMBL25146080 0.79 MGLL (0.47) MGLLFAAHUSP2HPGDALDH1A1

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
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP claimed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN claimed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO claimed
US-20240383904-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2024-11-21 — — US disclosed
EP-4416154-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-08-21 — — EP disclosed
CN-118103374-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2024-05-28 — — CN disclosed
WO-2023062049-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-20 — — WO 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 (1 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-20240383904-A1 HETEROCYCLIC COMPOUNDS MAGI3, MAG, MAGT1 MGLL 5/4885PDCD1LG2 3231/4885CD274 3482/4885

“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.

Send feedback