SCHEMBL30409323

SCHEMBL30409323

O=C1CCC2(CN(C(=O)N3CC4(CCN(S(=O)(=O)c5ccc(C(F)(F)F)cc5F)CC4)C3)C2)N1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.43
▸ CACNA1B Q00975 3/20 0.42
▸ PKM P14618 2/20 0.40
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TRPV4 Q9HBA0 3/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ENPP2 Q13822 3/20 0.36
▸ ATXN2 Q99700 3/20 0.36

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
SCHEMBL25146124 1.00 MGLL (0.43) MGLLCACNA1BPKMPLA2G1BATG4B
SCHEMBL25145968 0.88 CACNA1B (0.40) MGLLCACNA1BPKMPLA2G1BATG4B
SCHEMBL25146103 0.86 CACNA1B (0.41) MGLLCACNA1BPKMPLA2G1BATG4B
SCHEMBL30409788 0.85 MGLL (0.44) MGLLCACNA1BPKM
SCHEMBL25253376 0.82 CACNA1B (0.48) CACNA1BPKMPLA2G1BATG4BALDH1A1
SCHEMBL25146284 0.81 ENPP2 (0.42) MGLLALDH1A1TSHRENPP2ATXN2
SCHEMBL25146247 0.79 FAAH (0.44) MGLLALDH1A1CYP2C9TSHRENPP2
SCHEMBL31308002 0.78 EPHX2 (0.42) MGLLCACNA1BALDH1A1TRPV4CYP2C9
SCHEMBL25327528 0.78 CACNA1B (0.40) MGLLCACNA1BPKMPLA2G1BATG4B
SCHEMBL25296539 0.78 F13A1 (0.50) CACNA1BALDH1A1

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 5/4885CACNA1B 2447/4885PKM 2484/4885

“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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