SCHEMBL25322265

SCHEMBL25322265

O=C(N1CC(NCc2cc(C(F)(F)F)ccc2F)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ TEAD1 P28347 2/20 0.35
▸ MGLL Q99685 2/20 0.34
▸ PDE2A O00408 3/20 0.34
▸ FPR3 P25089 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ENPP2 Q13822 3/20 0.32
▸ ATXN2 Q99700 3/20 0.32
▸ MCHR1 Q99705 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
SCHEMBL25325835 0.93 MGLL (0.37) TEAD1MGLLPDE2AENPP2ATXN2
SCHEMBL25324075 0.91 P2RX7 (0.37) KMT2ATEAD1MGLLPDE2AFPR3
SCHEMBL25325418 0.90 MGLL (0.36) KMT2ATEAD1MGLLPDE2AMEN1
SCHEMBL25325226 0.89 FAAH (0.38) KMT2ATEAD1MGLLPDE2AMEN1
SCHEMBL25324564 0.88 ENPP2 (0.38) MGLLPDE2AENPP2ATXN2
SCHEMBL25325838 0.87 PDE2A (0.39) KMT2ATEAD1PDE2ASCN9AMEN1
SCHEMBL25325112 0.87 TEAD1 (0.44) TEAD1MGLLMCHR1
SCHEMBL25328280 0.85 NTRK1 (0.35) MGLLPDE2A
SCHEMBL25324066 0.85 P2RX7 (0.39) —
SCHEMBL25325576 0.84 FAAH (0.36) 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 POLB 3791/4885KMT2A 1346/4885USP30 3665/4885

“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.

Send feedback