SCHEMBL25325012

SCHEMBL25325012

COC(=O)c1cc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nc(C6CC6)n[nH]5)C4)C2)C3)ccc1OC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.39
▸ MBOAT4 Q96T53 1/20 0.38
▸ IDH1 O75874 13/20 0.35
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CCNA1 P78396 1/20 0.33

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
SCHEMBL25327485 0.94 MGLL (0.39) MGLLMBOAT4IDH1CCNA2CDK2
SCHEMBL25324872 0.91 MGLL (0.40) MGLLMBOAT4IDH1CCNA2CDK2
SCHEMBL30553316 0.91 MGLL (0.40) MGLLMBOAT4IDH1CCNA2CDK2
SCHEMBL25327430 0.86 MGLL (0.40) MGLLMBOAT4CCNA2CDK2CCNA1
SCHEMBL25327184 0.86 MGLL (0.42) MGLLCCNA2CDK2CCNA1
SCHEMBL30553278 0.81 MGLL (0.45) MGLLCCNA2CDK2CCNA1
SCHEMBL25325693 0.81 MGLL (0.45) MGLLCCNA2CDK2CCNA1
SCHEMBL30699951 0.80 MBOAT4 (0.37) MGLLMBOAT4IDH1
SCHEMBL25325122 0.78 MGLL (0.43) MGLL
SCHEMBL25325858 0.78 MGLL (0.43) MGLL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US claimed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP claimed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — WO claimed
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 — — US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 — — EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 — — 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 MGLL 3523/4885MBOAT4 3556/4885IDH1 180/4885

“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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