SCHEMBL25325931

SCHEMBL25325931

COc1cc(Cl)ccc1CN(C)C1CN(C(=O)N2CC3(CC(c4nnc(C5CC5)[nH]4)C3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ AVPR1A P37288 4/20 0.33
▸ FAAH O00519 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ PROKR1 Q8TCW9 4/20 0.32
▸ OXTR P30559 2/20 0.32
▸ NOS3 P29474 2/20 0.32
▸ NOS1 P29475 2/20 0.32
▸ NOS2 P35228 2/20 0.32
▸ FPR2 P25090 2/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ ADAM17 P78536 1/20 0.32
▸ ADAMTS5 Q9UNA0 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
SCHEMBL25324699 0.93 FAAH (0.41) ALDH1A1MAPTNPSR1HTR2AMEN1
SCHEMBL25325490 0.89 FAAH (0.34) HTR2AMEN1KMT2AAVPR1AFAAH
SCHEMBL25324419 0.75 MGLL (0.40) ALDH1A1HTR2AFAAHPROKR1
SCHEMBL25325838 0.74 PDE2A (0.39) ALDH1A1HTR2AMEN1KMT2APROKR1
SCHEMBL30553285 0.71 FAAH (0.36) AVPR1AFAAHPROKR1NOS3NOS1
SCHEMBL25325576 0.71 FAAH (0.36) AVPR1AFAAHPROKR1NOS3NOS1
SCHEMBL25324325 0.70 EPHX2 (0.38) AVPR1APROKR1OXTRFPR2
SCHEMBL30553154 0.70 EPHX2 (0.38) AVPR1APROKR1OXTRFPR2
SCHEMBL25325078 0.70 LMNA (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL25324958 0.69 MGLL (0.49) ALDH1A1NPSR1FAAHOXTRADAM17

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 ALDH1A1 411/4885MAPT 2210/4885NPSR1 68/4885

“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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