SCHEMBL25251096

SCHEMBL25251096

O=C1N[C@H](CCC(=O)N2CC3(C2)CN(S(=O)(=O)c2ccccc2OC(F)(F)F)C3)CO1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ LIPE Q05469 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ MGLL Q99685 5/20 0.35
▸ ALPL P05186 2/20 0.34
▸ SPR P35270 1/20 0.34
▸ KDM2B Q8NHM5 1/20 0.33
▸ GSPT1 P15170 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ MMP2 P08253 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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 0.85 DPP4 (0.38) AKR1C3LIPEEPHX2
SCHEMBL25300509 0.84 AKR1C3 (0.39) AKR1C3RORCMGLLKDM2BEPHX2
SCHEMBL25290123 0.81 EPHX2 (0.40) MGLLSPREPHX2
SCHEMBL25261087 0.80 ADAMTS5 (0.39) EPHX2
SCHEMBL25253992 0.76 CHRM1 (0.48) CHRM1AKR1C3LIPERORCMGLL
SCHEMBL25295284 0.76 — —
SCHEMBL25256650 0.74 ADAMTS4 (0.32) —
SCHEMBL30409535 0.74 CHRM1 (0.40) CHRM1AKR1C3LIPERORCMGLL
SCHEMBL25258066 0.74 TEAD1 (0.35) MGLL
SCHEMBL25292328 0.73 CHRM1 (0.46) CHRM1AKR1C3LIPERORCSPR

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 CHRM1 758/4885AKR1C3 159/4885LIPE 2733/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CHRM1 758/4885AKR1C3 159/4885LIPE 2733/4885

“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