SCHEMBL25328280

SCHEMBL25328280

O=C(N1CC(NCc2cc(F)ccc2C(F)(F)F)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 2/20 0.35
▸ MGLL Q99685 3/20 0.34
▸ P2RX7 Q99572 6/20 0.32
▸ PDE2A O00408 3/20 0.32
▸ GRM2 Q14416 1/20 0.32
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ RBP4 P02753 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL25324066 0.93 P2RX7 (0.39) NTRK1P2RX7
SCHEMBL25325576 0.91 FAAH (0.36) MGLLP2RX7PDCD1LG2CD274
SCHEMBL30553285 0.91 FAAH (0.36) MGLLP2RX7PDCD1LG2CD274
SCHEMBL25323130 0.86 PDE2A (0.37) MGLLP2RX7PDE2ABTK
SCHEMBL25322265 0.85 POLB (0.39) MGLLPDE2A
SCHEMBL25325835 0.85 MGLL (0.37) MGLLPDE2ASLC6A4
SCHEMBL25324075 0.82 P2RX7 (0.37) MGLLP2RX7PDE2ASLC6A2SLC6A4
SCHEMBL25325226 0.82 FAAH (0.38) MGLLP2RX7PDE2APDCD1LG2CD274
SCHEMBL25325838 0.82 PDE2A (0.39) PDE2APDCD1LG2CD274
SCHEMBL25325418 0.82 MGLL (0.36) MGLLPDE2ASLC6A4BTK

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 7 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
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 NTRK1 1232/4885MGLL 3523/4885P2RX7 216/4885

“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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