SCHEMBL25325838

SCHEMBL25325838

COc1cc(C(F)(F)F)ccc1CNC1CN(C(=O)N2CC3(CC(c4nnc(C5CC5)[nH]4)C3)C2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ SCN1A P35498 2/20 0.38
▸ SCN5A Q14524 2/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.36
▸ PDCD1LG2 Q9BQ51 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ CCRL2 O00421 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TEAD1 P28347 2/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CRBN Q96SW2 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
SCHEMBL25325835 0.89 MGLL (0.37) PDE2ATEAD1
SCHEMBL25325226 0.88 FAAH (0.38) PDE2APDCD1LG2CD274FFAR4KMT2A
SCHEMBL25322265 0.87 POLB (0.39) PDE2ASCN9AKMT2ATEAD1MEN1
SCHEMBL25324419 0.86 MGLL (0.40) PDE2ASCN9ASCN1ASCN5APROKR1
SCHEMBL25324075 0.86 P2RX7 (0.37) PDE2ASCN9APDCD1LG2CD274KMT2A
SCHEMBL25325418 0.85 MGLL (0.36) PDE2AKMT2ATEAD1MEN1TSHR
SCHEMBL25325112 0.84 TEAD1 (0.44) TEAD1
SCHEMBL25324564 0.83 ENPP2 (0.38) PDE2APDCD1LG2CD274
SCHEMBL30013062 0.83 CCR2 (0.35) PDE2ASCN9ASCN1ASCN5APROKR1
SCHEMBL27147412 0.83 CCR2 (0.35) PDE2ASCN9ASCN1ASCN5APROKR1

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 1875/4885SCN9A 1164/4885SCN1A 681/4885

“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