SCHEMBL25327532

SCHEMBL25327532

CNc1ccc(C(=O)N2CCN(C(=O)N3CC4(CC(c5nnc(C6CC6)[nH]5)C4)C3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 10/20 0.39
▸ HRH3 Q9Y5N1 3/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2C9 P11712 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
SCHEMBL25325899 0.86 SLC6A7 (0.42) HTR2BHRH3CYP3A4CYP2C9
SCHEMBL25327681 0.79 SMN1; SMN2 (0.49) CYP3A4USP2TSHRALDH1A1CYP2C9
SCHEMBL25325365 0.75 HTR1A (0.36) USP2TSHRALDH1A1
SCHEMBL25325194 0.71 DPP4 (0.37) HTR2B
SCHEMBL25326500 0.70 GPR119 (0.37) —
SCHEMBL25327841 0.69 CA12 (0.31) —
SCHEMBL25326455 0.69 MGLL (0.47) —
SCHEMBL25324368 0.69 MGLL (0.35) —
SCHEMBL25326932 0.68 OXTR (0.43) —
SCHEMBL30553287 0.68 DRD2 (0.37) —

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 HTR2B 106/4885HRH3 169/4885CYP3A4 3/4885

“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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