SCHEMBL25295908

SCHEMBL25295908

O=C1N[C@H](CCC(=O)N2CC(OCc3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)CO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 10/20 0.38
▸ PTPRZ1 P23471 1/20 0.36
▸ SCN3A Q9NY46 1/20 0.33
▸ TEAD1 P28347 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32
▸ CACNA1C Q13936 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ CHRM1 P11229 1/20 0.31
▸ MMP2 P08253 1/20 0.31
▸ MMP13 P45452 1/20 0.31

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
SCHEMBL25260581 0.90 MGLL (0.38) MGLL
SCHEMBL29497046 0.84 PTPRZ1 (0.37) MGLLPTPRZ1SCN3ATEAD1CHRM1
SCHEMBL25251927 0.84 LMNA (0.33) MGLLKCNH2
SCHEMBL25258066 0.79 TEAD1 (0.35) MGLLTEAD1
SCHEMBL25295986 0.77 TEAD1 (0.38) TEAD1
SCHEMBL25254799 0.76 MGLL (0.46) MGLLKCNH2CACNA1CSCN5A
SCHEMBL25297074 0.76 MGLL (0.46) MGLLKCNH2CACNA1CSCN5A
SCHEMBL25290096 0.76 MGLL (0.46) MGLLKCNH2CACNA1CSCN5A
SCHEMBL25291484 0.76 PTPRZ1 (0.49) MGLLPTPRZ1SCN3ATEAD1MMP2
SCHEMBL29496964 0.74 MGLL (0.33) MGLLSCN3A

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 8 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 claimed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 — — EP claimed
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN claimed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US claimed
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
CN-115989228-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-04-18 — — CN disclosed
US-20220098176-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-03-31 — — US 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 (2 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-20220098176-A1 HETEROCYCLIC COMPOUNDS CBR3, BRIX1, CCNY MGLL 996/4885PTPRZ1 3242/4885SCN3A 3699/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY MGLL 996/4885PTPRZ1 3242/4885SCN3A 3699/4885

“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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