SCHEMBL25325899

SCHEMBL25325899

CCc1ccc(C(=O)N2CCN(C(=O)N3CC4(CC(c5nnc(C6CC6)[nH]5)C4)C3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A7 Q99884 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HTR2B P41595 8/20 0.39
▸ ADRB2 P07550 2/20 0.39
▸ DRD3 P35462 3/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MGLL Q99685 1/20 0.38

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
SCHEMBL25327532 0.86 HTR2B (0.39) CYP3A4CYP2C9HTR2BHRH3
SCHEMBL25327681 0.79 SMN1; SMN2 (0.49) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL25325365 0.75 HTR1A (0.36) SLC6A7KMT2AMEN1RECQLDRD3
SCHEMBL25325054 0.73 MGLL (0.37) HRH3MGLL
SCHEMBL25326672 0.73 CCR5 (0.38) MGLL
SCHEMBL30553276 0.72 PPARD (0.42) KMT2AMEN1MGLL
SCHEMBL25325535 0.72 MGLL (0.34) MGLL
SCHEMBL25325975 0.72 LMNA (0.37) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL25325194 0.71 DPP4 (0.37) MAPTHTR2BMGLL
SCHEMBL25324368 0.71 MGLL (0.35) 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 SLC6A7 2008/4885KMT2A 1346/4885MEN1 2422/4885

“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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