SCHEMBL25323130

SCHEMBL25323130

O=C(N1CC(NCc2ccc(C(F)(F)F)c(F)c2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 7/20 0.37
▸ TEAD1 P28347 2/20 0.35
▸ MGLL Q99685 1/20 0.34
▸ CHRNA7 P36544 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ GPR183 P32249 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ BTK Q06187 2/20 0.33

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
SCHEMBL25917023 0.89 PDE2A (0.38) PDE2AMGLLCHRNA7KCNH2GPR183
SCHEMBL25325112 0.87 TEAD1 (0.44) TEAD1MGLL
SCHEMBL25328280 0.86 NTRK1 (0.35) PDE2AMGLLP2RX7BTK
SCHEMBL25324066 0.85 P2RX7 (0.39) GPR183EPHX2P2RX7
SCHEMBL30553285 0.84 FAAH (0.36) MGLLP2RX7
SCHEMBL25325576 0.84 FAAH (0.36) MGLLP2RX7
SCHEMBL25325835 0.83 MGLL (0.37) PDE2ATEAD1MGLL
SCHEMBL25322265 0.83 POLB (0.39) PDE2ATEAD1MGLL
SCHEMBL25322558 0.83 BCHE (0.41) PDE2AEPHX2
SCHEMBL25324202 0.81 FAAH (0.38) TEAD1MGLLKCNH2BTK

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 PDE2A 1875/4885TEAD1 3390/4885MGLL 3523/4885

“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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