SCHEMBL25290123

SCHEMBL25290123

O=C1N[C@H](CCC(=O)N2CC3(C2)CN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C3)CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ MGLL Q99685 4/20 0.38
▸ SPR P35270 1/20 0.33
▸ PKM P14618 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CACNA1B Q00975 1/20 0.32
▸ ADAMTS5 Q9UNA0 3/20 0.32
▸ ADAMTS4 O75173 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ AR P10275 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RBP4 P02753 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
SCHEMBL25261087 0.82 ADAMTS5 (0.39) EPHX2TRPV4PKMADAMTS5
SCHEMBL25251096 0.81 CHRM1 (0.39) EPHX2MGLLSPR
SCHEMBL25253607 0.79 CACNA1B (0.39) TRPV4MGLLPKMCACNA1BADAMTS5
SCHEMBL25301329 0.78 DPP4 (0.38) EPHX2
SCHEMBL25300509 0.77 AKR1C3 (0.39) EPHX2MGLLPKMCACNA1B
SCHEMBL25301193 0.76 EPHX2 (0.48) EPHX2TRPV4SPRPKMCACNA1B
SCHEMBL25295284 0.76 — —
SCHEMBL30409778 0.74 EPHX2 (0.40) EPHX2TRPV4MGLLSPR
SCHEMBL25255031 0.73 MGLL (0.40) MGLLADAMTS5
SCHEMBL25290206 0.73 MGLL (0.40) MGLLADAMTS5

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 EPHX2 259/4885TRPV4 4192/4885MGLL 996/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY EPHX2 259/4885TRPV4 4192/4885MGLL 996/4885

“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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