SCHEMBL800327

SCHEMBL800327

CC(C)NCc1ccccc1C(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.46
▸ PPARG P37231 2/20 0.46
▸ IDO1 P14902 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SCN8A Q9UQD0 1/20 0.44
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.42

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
SCHEMBL30482017 1.00 EPHX2 (0.46) EPHX2PPARGIDO1KDM4EALDH1A1
SCHEMBL25377665 0.87 EPHX2 (0.41) EPHX2PPARGKDM4EALDH1A1POLB
SCHEMBL28170854 0.85 SCN8A (0.52) EPHX2PPARGIDO1KDM4EALDH1A1
SCHEMBL18893127 0.84 EPHX2 (0.44) EPHX2PPARGIDO1POLBSCN8A
SCHEMBL13208315 0.83 BCHE (0.45) ALDH1A1POLBBCHEACHE
SCHEMBL11621026 0.83 BCHE (0.40) EPHX2PPARGIDO1ALDH1A1POLB
SCHEMBL13865872 0.83 HDAC4 (0.49) EPHX2PPARGTACR1SLC6A2SLC6A4
SCHEMBL26030471 0.80 BCHE (0.43) ALDH1A1POLBBCHEACHEATM
SCHEMBL3272017 0.80 BCHE (0.55) KDM4EALDH1A1POLBBCHEACHE
SCHEMBL12153198 0.79 SCN8A (0.49) EPHX2PPARGIDO1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4139308-B1 PURINE DERIVATIVES AS DRUGS FOR THE TREATMENT OF NEONATAL HYPOXIA-ISCHEMIA BRAIN INJURY AND RELATED DISEASES COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-07-17 — — EP disclosed
WO-2023146987-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 PERHA PHARMACEUTICALS (FR) 2023-06-01 — — US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — US disclosed
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ NATIONAL INSTITUTES OF HEALTH 2023-05-11 — — US disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 — — WO disclosed
US-11180492-B2 Anti-parasitic compounds and uses thereof UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-11-23 — — US disclosed
US-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-13 — — US disclosed
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2021-05-06 — — US disclosed
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2019-01-03 — — US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 — — US disclosed
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2012-03-22 — — US disclosed
US-20100298276-A1 THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2010-11-25 — — US disclosed
WO-2010065085-A2 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS THE JOHNS HOPKINS UNIVERSITY (US) 2010-06-10 — — WO disclosed
US-7557143-B2 Thyroid receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2009-07-07 — — US disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 — — US disclosed
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MERCK SHARP & DOHME CORP. 2008-01-31 — — US disclosed
US-20070197522-A1 Dpp-iv inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-08-23 — — US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 — — US disclosed
US-7189728-B2 Inhibitors of dipeptidyl peptidase IV FERRING, BV (NL) 2007-03-13 — — 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 (10 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-11180492-B2 Anti-parasitic compounds and uses thereof MPO, GOT2, GOT1 EPHX2 1393/4885PPARG 695/4885IDO1 681/4885
US-20210139477-A1 ALK5 INHIBITORS, CONJUGATES, AND USES THEREOF ALK, ALKBH5, ACVR1 EPHX2 1224/4885PPARG 3136/4885IDO1 1618/4885
US-20100298276-A1 THYROID RECEPTOR LIGANDS TSHR, THRA, THRB EPHX2 3236/4885PPARG 23/4885IDO1 2628/4885
US-20080027095-A1 Use Of 3-Substituted-2-(Diphenylmethy)-1-Azabicyclo[2.2.2]Octanes For Treating Mrg-X1 Receptor Mediated Diseases MRGPRX1, MRGPRX2, MRGPRX4 EPHX2 2807/4885PPARG 4069/4885IDO1 985/4885
US-20070197522-A1 Dpp-iv inhibitors DPP7, DPP4, DPP3 EPHX2 3598/4885PPARG 2664/4885IDO1 2749/4885
US-20120073001-A1 METHODS AND COMPOSITIONS FOR TREATING OR PREVENTING PRURITIS ITCH, CCL11, CPA3 EPHX2 223/4885PPARG 1222/4885IDO1 807/4885
US-20210130473-A1 TGFßR1 INHIBITOR-ASGR ANTIBODY CONJUGATES AND USES THEREOF TGFBR2, ASGR1, TGFBR1 EPHX2 1189/4885PPARG 3616/4885IDO1 2003/4885
US-20190002463-A1 ANTI-PARASITIC COMPOUNDS AND USES THEREOF MPO, GOT2, GOT1 EPHX2 1393/4885PPARG 695/4885IDO1 681/4885
US-20230167104-A1 NEW IMIDAZOLONE DERIVATIVES AS INHIBITORS OF PROTEIN KINASES IN PARTICULAR DYRK1A, CLK1 AND/OR CLK4 CLK1, CLK2, CLK3 EPHX2 4541/4885PPARG 4337/4885IDO1 981/4885
US-20230143470-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ HAVCR2, CD44, ENGASE EPHX2 2448/4885PPARG 4274/4885IDO1 144/4885

“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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