SCHEMBL25324699

SCHEMBL25324699

COc1cc(Cl)ccc1CN(C)C1CCN(C(=O)N2CC3(CC(c4nnc(C5CC5)[nH]4)C3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.41
▸ HTR2A P28223 1/20 0.38
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ NOS3 P29474 10/20 0.36
▸ NOS1 P29475 10/20 0.36
▸ NOS2 P35228 10/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ ADAMTS5 Q9UNA0 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
SCHEMBL25325931 0.93 ALDH1A1 (0.35) FAAHHTR2ANOS3NOS1NOS2
SCHEMBL25325490 0.85 FAAH (0.34) FAAHHTR2AMEN1KMT2AADAM17
SCHEMBL25325078 0.74 LMNA (0.34) ITGB3ITGA2BMAPTALDH1A1MEN1
SCHEMBL25325804 0.74 FASN (0.37) —
SCHEMBL25324419 0.71 MGLL (0.40) FAAHHTR2AALDH1A1
SCHEMBL25325838 0.70 PDE2A (0.39) HTR2AALDH1A1MEN1KMT2A
SCHEMBL30553154 0.69 EPHX2 (0.38) —
SCHEMBL25324325 0.69 EPHX2 (0.38) —
SCHEMBL30553253 0.68 CNR1 (0.46) —
SCHEMBL25325289 0.68 OPRL1 (0.40) —

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 FAAH 451/4885HTR2A 270/4885ITGB3 4079/4885

“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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