SCHEMBL25325078

SCHEMBL25325078

COc1cc(C(N)=O)ccc1COC1CCN(C(=O)N2CC3(CC(c4nnc(C5CC5)[nH]4)C3)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HPGD P15428 4/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.32
▸ PRKD3 O94806 1/20 0.32

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
SCHEMBL25325804 0.86 FASN (0.37) HTR2BKCNH2
SCHEMBL25324419 0.79 MGLL (0.40) CYP3A4USP2CYP1A2ALDH1A1
SCHEMBL25324699 0.74 FAAH (0.41) GAAITGB3ITGA2BALDH1A1MAPT
SCHEMBL25323942 0.73 HTR2B (0.35) LMNAHTR2BITGB3ITGA2BALDH1A1
SCHEMBL25324958 0.71 MGLL (0.49) ALOX15ALDH1A1HSD17B10HTT
SCHEMBL25325931 0.70 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2A
SCHEMBL25325310 0.70 GPR119 (0.38) CYP3A4KCNH2
SCHEMBL25324545 0.69 ENPP2 (0.41) —
SCHEMBL25325899 0.69 SLC6A7 (0.42) HTR2BCYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL25327532 0.67 HTR2B (0.39) HTR2BCYP3A4CYP2C9USP2ALDH1A1

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 LMNA 3406/4885HTR2B 106/4885HPGD 352/4885

“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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