SCHEMBL25261087

SCHEMBL25261087

O=C1N[C@H](CCC(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C3)CO1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ CNR1 P21554 3/20 0.37
▸ EPHX2 P34913 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ ATXN2 Q99700 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TRPV4 Q9HBA0 1/20 0.34

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
SCHEMBL25301329 0.88 DPP4 (0.38) EPHX2ENPP2ATXN2
SCHEMBL25290123 0.82 EPHX2 (0.40) ADAMTS5EPHX2PKMTRPV4
SCHEMBL25300509 0.82 AKR1C3 (0.39) EPHX2PKM
SCHEMBL25251096 0.80 CHRM1 (0.39) EPHX2
SCHEMBL25253607 0.80 CACNA1B (0.39) ADAMTS5CNR1PKMENPP2ATXN2
SCHEMBL25291784 0.79 TGFBR1 (0.44) ADAMTS5EPHX2GAAALDH1A1
SCHEMBL25258066 0.78 TEAD1 (0.35) ADAMTS5CYP1A2CYP2D6CYP2C19ENPP2
SCHEMBL25295284 0.77 — —
SCHEMBL25301211 0.76 ENPP2 (0.45) HTTENPP2ATXN2ALDH1A1
SCHEMBL29497009 0.74 MGLL (0.34) ADAMTS5ENPP2ATXN2

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 ADAMTS5 4557/4885CNR1 136/4885EPHX2 259/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY ADAMTS5 4557/4885CNR1 136/4885EPHX2 259/4885

“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