SCHEMBL25324110

SCHEMBL25324110

NC1(c2n[nH]c(C3CC4(C3)CN(C(=O)N3CC5(CC(Cc6ccc(C(F)(F)F)cn6)C5)C3)C4)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 9/20 0.39
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ ADAM10 O14672 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP7 P09237 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ ADAM17 P78536 1/20 0.31
▸ ADAM9 Q13443 1/20 0.31
▸ ADAM33 Q9BZ11 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ SCN10A Q9Y5Y9 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
SCHEMBL25324842 0.92 MGLL (0.39) MGLLCCNE1CDK2SCN9AADAM10
SCHEMBL25320922 0.87 MGLL (0.38) MGLLCCNE1CDK2SCN9AADAM10
SCHEMBL25328035 0.86 MGLL (0.41) MGLLCCNE1CDK2SCN9AHCRTR1
SCHEMBL25324622 0.86 MGLL (0.39) MGLL
SCHEMBL25324929 0.86 MGLL (0.41) MGLLSCN9AHCRTR1SCN10A
SCHEMBL25326350 0.85 MGLL (0.38) MGLLSCN9AADAM10MMP1MMP2
SCHEMBL25325375 0.82 MGLL (0.44) MGLLADAM10MMP1MMP2MMP3
SCHEMBL25326753 0.82 MGLL (0.38) MGLLCCNE1CDK2SCN9AHCRTR1
SCHEMBL25325658 0.81 MGLL (0.45) MGLLCCNE1CDK2ADAM10MMP1
SCHEMBL25327695 0.81 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 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 3523/4885CCNE1 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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