SCHEMBL25326274

SCHEMBL25326274

Cc1csc(CN2CC3(C2)CN(C(=O)N2CC4(CC(c5nnc(C6CC6)[nH]5)C4)C2)C3)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OGA O60502 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ BAZ2A Q9UIF9 2/20 0.32
▸ CYP3A4 P08684 3/20 0.32
▸ TSHR P16473 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ MGLL Q99685 2/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31

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
SCHEMBL25324262 0.84 KMT2A (0.39) OGAALDH1A1PDE10A
SCHEMBL25328638 0.80 NR1I2 (0.31) OGACYP3A4PDE10ACYP2D6
SCHEMBL25325155 0.78 OGA (0.31) OGA
SCHEMBL25326561 0.77 ALPI (0.35) ALDH1A1MGLL
SCHEMBL25324805 0.76 MGLL (0.33) CYP3A4TSHRALDH1A1MGLLCYP2D6
SCHEMBL25325084 0.75 MGLL (0.38) MGLL
SCHEMBL25325975 0.74 LMNA (0.37) CYP3A4ALDH1A1CYP2D6CYP2C19
SCHEMBL25325337 0.73 ALDH1A1 (0.40) CYP3A4ALDH1A1MGLLCYP2D6CYP2C19
SCHEMBL25326091 0.72 ALDH1A1 (0.39) ALDH1A1
SCHEMBL25326143 0.72 MGLL (0.38) CYP3A4TSHRMGLLCYP2D6CYP2C19

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 OGA 3866/4885NR3C1 447/4885BAZ2A 3145/4885

“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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