SCHEMBL25328369

SCHEMBL25328369

COC(=O)c1ccccc1-c1ccc(C2CN(C(=O)N3CC4(CC(c5nnc(C6CC6)[nH]5)C4)C3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.39
▸ SLC6A4 P31645 3/20 0.39
▸ CHRNB2 P17787 2/20 0.36
▸ CHRNA4 P43681 2/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ SLC6A2 P23975 1/20 0.35
▸ MGLL Q99685 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ BRS3 P32247 1/20 0.35
▸ ACHE P22303 1/20 0.34

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
SCHEMBL25327456 0.89 BRS3 (0.38) MGLLBRS3FASN
SCHEMBL25919043 0.89 MGLL (0.42) SLC6A3SLC6A4CHRNB2CHRNA4CHRNB4
SCHEMBL25323749 0.88 PARP1 (0.36) MGLLFASN
SCHEMBL25325542 0.87 MGLL (0.33) CHRNB2CHRNA4CHRNB4CHRNA3MGLL
SCHEMBL25328348 0.78 HSD11B1 (0.36) MGLLFASN
SCHEMBL25933060 0.78 MGLL (0.44) MGLLBRS3FASN
SCHEMBL25326355 0.78 SIRT1 (0.36) —
SCHEMBL25324787 0.77 LMNA (0.36) MGLLUSP30
SCHEMBL25325684 0.77 DGAT1 (0.35) FASN
SCHEMBL25324087 0.75 FASN (0.33) MGLLFASN

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 SLC6A3 607/4885SLC6A4 609/4885CHRNB2 1153/4885

“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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