Sugi Predict

Sugi Predict / Compounds / SCHEMBL3370947

SCHEMBL3370947

SCHEMBL3370947

O=C(O)C(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.56
▸ PPARA Q07869 9/20 0.51
▸ PPARG P37231 9/20 0.51
▸ CYP2C19 P33261 2/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ P4HTM Q9NXG6 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ CNR2 P34972 1/20 0.48
▸ PPARD Q03181 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46

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
SCHEMBL605909 0.93 P4HTM (0.56) EPHX1PPARAPPARGCYP2C19CYP2C9
SCHEMBL22394830 0.88 EPHX1 (0.54) EPHX1PPARAPPARGCYP2C19CNR1
SCHEMBL3079795 0.87 EPHX1 (0.71) EPHX1CYP2C19P4HTMPTGS1
SCHEMBL599399 0.87 EPHX1 (0.71) EPHX1CYP2C19P4HTMPTGS1
SCHEMBL67234 0.87 EPHX1 (0.71) EPHX1CYP2C19P4HTMPTGS1
SCHEMBL3371208 0.86 ESR1 (0.60) EPHX1PPARAPPARGCYP2C19CYP2C9
SCHEMBL28108267 0.86 EPHX1 (0.77) EPHX1PPARAPPARGCYP2C19CNR1
Hydrochloric Acid SCHEMBL933353 0.85 EPHX1 (0.69) EPHX1CYP2C19P4HTMPTGS1
SCHEMBL5161421 0.84 ESR1 (0.61) EPHX1PPARGCYP2C19P4HTMEPHX2
SCHEMBL3475249 0.83 PPARA (0.47) PPARAPPARG

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704117-B1 AZABICYCLO DERIVATIVES FOR TREATING OCULAR DISORDERS ALCON INC (CH) 2026-01-28 — — EP disclosed
US-12247028-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2025-03-11 — — US disclosed
US-20240132497-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2024-04-25 — — US disclosed
US-11884666-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2024-01-30 — — US disclosed
US-20220267328-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2022-08-25 — — US disclosed
US-11306090-B2 Azabicyclo and diazepine derivatives ALCON INC. (CH) 2022-04-19 — — US disclosed
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2021-06-17 — — US disclosed
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES ALCON INC. (CH) 2021-06-17 — — US disclosed
EP-3704117-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES FOR TREATING OCULAR DISORDERS ALCON INC. (CH) 2020-09-09 — — EP disclosed
CN-111247147-A Azabicyclo and diazepatriene derivatives useful for treating ocular disorders 爱尔康公司 2020-06-05 — — CN disclosed
EP-1494997-A1 SUBSTITUTED ARYL AMIDES Merck & Co., Inc. (US) 2005-01-12 — — EP disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 — — EP disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 — — WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 — — US disclosed
WO-2003086288-A2 BICYCLIC AMIDES MERCK & CO., INC. (US) 2003-10-23 — — WO disclosed
WO-2003087037-A1 SUBSTITUTED ARYL AMIDES MERCK & CO., INC. (US) 2003-10-23 — — WO disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 — — WO disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 — — WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — WO 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 (7 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-11884666-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885
US-20240132497-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885
US-20210179616-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG EPHX1 961/4885PPARA 780/4885PPARG 297/4885
US-20220267328-A1 AZABICYCLO AND DIAZEPINE DERIVATIVES CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885
US-12247028-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885
US-11306090-B2 Azabicyclo and diazepine derivatives CHRM3, CHRM5, CHRNA5 EPHX1 1173/4885PPARA 633/4885PPARG 410/4885

“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.