SCHEMBL25324968

SCHEMBL25324968

O=C(N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1)N1CC2(CC[C@H](Cc3cnc(C(F)(F)F)cn3)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.41
▸ CCNE1 P24864 2/20 0.32
▸ CDK2 P24941 2/20 0.32
▸ CNR2 P34972 1/20 0.30
▸ GSK3B P49841 1/20 0.30

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
SCHEMBL30553245 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325011 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553212 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25324972 1.00 MGLL (0.41) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553168 0.95 MGLL (0.40) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325478 0.95 MGLL (0.40) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL30553283 0.94 MGLL (0.45) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325009 0.94 MGLL (0.45) MGLLCCNE1CDK2CNR2GSK3B
SCHEMBL25325955 0.88 MGLL (0.40) MGLL
SCHEMBL30553282 0.88 MGLL (0.40) 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 4 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
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
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 3523/4885CCNE1 642/4885CDK2 677/4885

“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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