SCHEMBL868076

SCHEMBL868076

CCc1ccc(Br)cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.45
CYP2A6 P11509 3/20 0.42
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.39
PTPN1 P18031 1/20 0.39
HPGD P15428 3/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALDH1A3 P47895 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIM3 Q86V86 1/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL27997027 0.86 ERN1 (0.48) ERN1PTGDR2CYP2A6SRCLMNA
SCHEMBL3654095 0.83 ERN1 (0.48) ERN1PTGDR2CYP2A6LMNAPTPN1
SCHEMBL29793157 0.83 ERN1 (0.48) ERN1PTGDR2CYP2A6LMNAPTPN1
SCHEMBL16956364 0.82 ERN1 (0.38) ERN1PTGDR2LMNAHPGDTSHR
SCHEMBL26655793 0.82 ERN1 (0.57) ERN1PTGDR2CYP2A6SRCPTPN1
SCHEMBL16962173 0.82 ERN1 (0.42) ERN1PTGDR2LMNAHPGDTSHR
SCHEMBL38665606 0.80 ERN1 (0.50) ERN1PTGDR2CYP2A6SRCPTPN1
SCHEMBL7872295 0.79 ERN1 (0.48) ERN1PTGDR2CYP2A6SRCLMNA
SCHEMBL10497451 0.77 SRC (0.42) CYP2A6SRCLMNAHPGDALDH1A1
SCHEMBL13180289 0.77 SRC (0.65) ERN1CYP2A6SRCLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-12-25 US disclosed
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2025-02-27 US disclosed
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2024-09-10 US disclosed
US-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY 2022-12-29 US disclosed
US-20220306672-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2022-09-29 US disclosed
EP-3390382-B1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2021-12-01 EP disclosed
EP-3390382-B1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS ARDELYX INC (US) 2021-12-01 EP disclosed
CN-108699028-B Substituted 4-phenylpyridines as non-systemic TGR5 agonists 阿德利克斯公司 2021-10-22 CN disclosed
WO-2021081528-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NORTHWESTERN UNIVERSITY (US) 2021-04-29 WO disclosed
US-10968246-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists ARDELYX, INC. (US) 2021-04-06 US disclosed
WO-2008057469-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION WYETH (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057468-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
WO-2008057497-A2 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION CURIS, INC. (US) 2008-05-15 WO disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
US-20080058521-A1 Processes for the preparation of compounds WYETH (US) 2008-03-06 US disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 WO disclosed
WO-2007089669-A2 PROCESSES FOR THE PREPARATION OF COMPOUNDS WHICH MODULATE CELL PROLIFERATION WYETH (US) 2007-08-09 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-20220411377-A1 SELECTIVE NEURONAL NITRIC OXIDE SYNTHASE INHIBITORS NOS3, NOS1, NOS2 ERN1 2796/4885PTGDR2 793/4885CYP2A6 1219/4885
US-20250066410-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R ERN1 3233/4885PTGDR2 160/4885CYP2A6 2024/4885
US-20080058521-A1 Processes for the preparation of compounds MKI67, MCL1, DCX ERN1 2740/4885PTGDR2 1054/4885CYP2A6 1491/4885
US-20250388615-A9 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, FFAR3 ERN1 1789/4885PTGDR2 733/4885CYP2A6 535/4885
US-10968246-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R ERN1 3233/4885PTGDR2 160/4885CYP2A6 2024/4885
US-20220306672-A1 SUBSTITUTED 4-PHENYL PYRIDINE COMPOUNDS AS NON-SYSTEMIC TGR5 AGONISTS GPR119, GIPR, GLP1R ERN1 3233/4885PTGDR2 160/4885CYP2A6 2024/4885
US-12084472-B2 Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists GPR119, GIPR, GLP1R ERN1 3233/4885PTGDR2 160/4885CYP2A6 2024/4885

“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.