SCHEMBL25292328

SCHEMBL25292328

CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccccc1OC(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.46
▸ LIPE Q05469 3/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ SPR P35270 1/20 0.41
▸ KDM2B Q8NHM5 1/20 0.40
▸ RORC P51449 4/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ GPR119 Q8TDV5 2/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ F13A1 P00488 2/20 0.38
▸ TGM2 P21980 2/20 0.38
▸ TGM1 P22735 1/20 0.38
▸ SCD5 Q86SK9 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
SCHEMBL25253992 0.87 CHRM1 (0.48) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL25296793 0.81 LIPE (0.46) LIPEGPR119F13A1TGM2TGM1
SCHEMBL25292247 0.79 MGLL (0.45) LIPEAKR1C3KDM2BRORCGPR119
SCHEMBL30488780 0.79 MGLL (0.45) LIPEAKR1C3KDM2BRORCGPR119
SCHEMBL25253193 0.78 LIPE (0.44) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL30409361 0.77 MGLL (0.43) CHRM1LIPEAKR1C3SPRKDM2B
SCHEMBL30409535 0.77 CHRM1 (0.40) CHRM1LIPEAKR1C3SPRRORC
SCHEMBL29497041 0.76 EPHX2 (0.48) SPRRORCPARP1GPR119F13A1
SCHEMBL23850527 0.76 EPHX2 (0.48) SPRRORCPARP1GPR119F13A1
SCHEMBL25298280 0.75 HSD11B1 (0.49) RORCGPR119F13A1TGM2TGM1

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 4 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
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 758/4885LIPE 2733/4885AKR1C3 159/4885
US-11981661-B2 Heterocyclic compounds CBR3, BRIX1, CCNY CHRM1 758/4885LIPE 2733/4885AKR1C3 159/4885

“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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