SCHEMBL25326351

SCHEMBL25326351

Cn1ncc(CC2CC3(C2)CN(C(=O)N2CC4(CC(c5nc(C6(F)CC6)n[nH]5)C4)C2)C3)c1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.40
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ CCNE1 P24864 2/20 0.33
▸ CDK2 P24941 2/20 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
SCHEMBL25326053 0.92 MGLL (0.40) MGLLCYP11B1CYP11B2CCNE1CDK2
SCHEMBL25328008 0.87 MGLL (0.42) MGLLCYP11B1CYP11B2CCNE1CDK2
SCHEMBL25326403 0.87 MGLL (0.48) MGLLCYP11B1CYP11B2CCNE1CDK2
SCHEMBL25325351 0.85 MGLL (0.41) MGLLCYP11B1CYP11B2CCNE1CDK2
SCHEMBL25327129 0.83 MGLL (0.39) MGLLCYP11B1CYP11B2
SCHEMBL25327695 0.81 MGLL (0.40) MGLL
SCHEMBL25324641 0.81 MGLL (0.40) MGLL
SCHEMBL25324472 0.81 MGLL (0.40) MGLLCCNE1CDK2
SCHEMBL30553323 0.81 MGLL (0.40) MGLLCCNE1CDK2
SCHEMBL25325669 0.80 ENPP2 (0.39) 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 3523/4885CYP11B1 120/4885CYP11B2 151/4885

“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