SCHEMBL25255840

SCHEMBL25255840

O=C(O)N1CC2(C1)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
MGLL Q99685 1/20 0.45
ABHD6 Q9BV23 1/20 0.45
AKR1C3 P42330 2/20 0.45
KAT6A Q92794 1/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
PKLR P30613 1/20 0.42
LIPE Q05469 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 2/20 0.40
USP9X Q93008 1/20 0.40
RORC P51449 1/20 0.40
CACNA1B Q00975 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
NOTUM Q6P988 1/20 0.39

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
SCHEMBL30488780 0.87 MGLL (0.45) SCN9AMGLLABHD6AKR1C3KAT6A
SCHEMBL25292247 0.87 MGLL (0.45) SCN9AMGLLABHD6AKR1C3KAT6A
SCHEMBL25251545 0.85 MEN1 (0.48) SCN9AAKR1C3LIPEMEN1KMT2A
SCHEMBL30720242 0.82 KDM2B (0.44) SCN9AMGLLABHD6AKR1C3KAT6A
SCHEMBL27215963 0.82 KDM2B (0.43) SCN9AMGLLABHD6AKR1C3KAT6A
SCHEMBL29497071 0.82 KDM2B (0.43) SCN9AMGLLABHD6AKR1C3KAT6A
SCHEMBL30408465 0.80 SCN9A (0.41) SCN9AMGLLABHD6AKR1C3PKLR
SCHEMBL30409945 0.80 MGLL (0.48) SCN9AMGLLABHD6AKR1C3USP9X
SCHEMBL30700035 0.80 ALDH1A1 (0.46) SCN9AMGLLABHD6AKR1C3LIPE
SCHEMBL25327398 0.78 AKR1C3 (0.44) SCN9AMGLLABHD6AKR1C3LIPE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11981661-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-05-14 US disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP 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-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY SCN9A 3337/4885MGLL 996/4885ABHD6 2620/4885

“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.