SCHEMBL25249072

SCHEMBL25249072

O=C(O)N1CC(c2ccc(Oc3cnc(C(F)(F)F)cn3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.46
SCN7A Q01118 1/20 0.46
KCNH2 Q12809 1/20 0.46
LIPE Q05469 11/20 0.43
BCHE P06276 1/20 0.42
P2RX3 P56373 2/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HCRTR1 O43613 1/20 0.37

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
SCHEMBL25297903 0.86 LIPE (0.46) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30395340 0.86 LIPE (0.46) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30700222 0.82 SCN9A (0.42) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30700300 0.81 SCN9A (0.44) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL30700224 0.81 SCN9A (0.48) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL25255595 0.80 DGAT1 (0.45) SCN9AKCNH2HCRTR1
SCHEMBL23091977 0.79 LIPE (0.45) SCN9ASCN7AKCNH2LIPEBCHE
SCHEMBL25259043 0.78 ACACB (0.39) SCN9AHCRTR1
SCHEMBL25295868 0.78 SCN9A (0.43) SCN9ASCN7AKCNH2
SCHEMBL29497099 0.78 SCN9A (0.43) SCN9ASCN7AKCNH2

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 3337/4885SCN7A 4259/4885KCNH2 792/4885

“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.