SCHEMBL25323714

SCHEMBL25323714

O=C(N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)C1)N1CC2(CC(c3nnc(C4CC4)[nH]3)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.43
▸ ATXN2 Q99700 3/20 0.43
▸ MGLL Q99685 2/20 0.41
▸ FAAH O00519 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PIK3CA P42336 1/20 0.39
▸ PRKAA2 P54646 1/20 0.39
▸ GPR183 P32249 5/20 0.38
▸ SSTR5 P35346 1/20 0.38
▸ USP2 O75604 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL25325656 0.86 MGLL (0.44) ENPP2ATXN2MGLLJAK2JAK1
SCHEMBL25324564 0.85 ENPP2 (0.38) ENPP2ATXN2MGLLJAK2JAK1
SCHEMBL25325835 0.84 MGLL (0.37) ENPP2ATXN2MGLLJAK2JAK1
SCHEMBL25325624 0.83 TEAD1 (0.39) MGLLGPR183USP2CYP3A4CYP2D6
SCHEMBL25326498 0.82 PDE2A (0.38) ENPP2ATXN2MGLLTSHR
SCHEMBL25324545 0.82 ENPP2 (0.41) ENPP2ATXN2MGLLFAAH
SCHEMBL25327528 0.82 CACNA1B (0.40) ENPP2ATXN2MGLLCYP2C9
SCHEMBL25326927 0.81 SLC6A4 (0.40) ENPP2ATXN2MGLL
SCHEMBL31307999 0.81 ENPP2 (0.41) ENPP2ATXN2MGLLFAAHJAK2
SCHEMBL31308016 0.81 ENPP2 (0.41) ENPP2ATXN2MGLLFAAHJAK2

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 ENPP2 3934/4885ATXN2 1263/4885MGLL 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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