SCHEMBL131767

SCHEMBL131767

Cc1cc([Mg]Br)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
GABRA1 P14867 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PTGS2 P35354 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
TSHR P16473 2/20 0.32
PTGS1 P23219 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
DAPK3 O43293 1/20 0.31
NTRK1 P04629 1/20 0.31
PIM1 P11309 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
ROCK1 Q13464 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
SLC9A1 P19634 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL6942926 0.86 ACHE (0.41) ACHETSHR
SCHEMBL635149 0.82 HDAC1 (0.37) ACHETSHRDAO
SCHEMBL1125635 0.78 ALDH1A1 (0.40) ACHETSHRSMN1; SMN2
SCHEMBL667921 0.78 CES2 (0.36)
SCHEMBL6650984 0.77 ACHE (0.37) ACHEGABRA1SIGMAR1PTGS2HTR2A
Bromide SCHEMBL733561 0.76 CES2 (0.34)
SCHEMBL18009876 0.74 VCP (0.35) SLC9A1
SCHEMBL19031224 0.73
SCHEMBL30702572 0.73 TSHR (0.35) PTGS2HTR2BTSHRSMN1; SMN2SLC6A2
SCHEMBL665988 0.73 SLC2A1 (0.39) TSHRSMN1; SMN2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7273948-B2 Process of preparing esters and ethers of probucol and derivatives thereof ATHEROGENICS, INC. (US) 2007-09-25 US claimed
EP-1594824-A4 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS INC (US) 2007-04-04 EP claimed
EP-1594824-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF Atherogenics, Inc. (US) 2005-11-16 EP claimed
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof CRABTREE ACQUISITION CO, LLC 2004-10-14 US claimed
WO-2004062622-A2 PROCESS OF PREPARING ESTERS AND ETHERS OF PROBUCOL AND DERIVATIVES THEREOF ATHEROGENICS, INC. (US) 2004-07-29 WO claimed
US-20250042934-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2025-02-06 US disclosed
CN-117881664-A Cycloalkyl 3-oxopiperazine carboxamides and cycloheteroalkyl 3-oxopiperazine carboxamides as NAV1.8 inhibitors 默沙东有限责任公司 2024-04-12 CN disclosed
US-11945836-B2 Compositions and methods for treating CNS disorders SAGE THERAPEUTICS, INC. (US) 2024-04-02 US disclosed
EP-4334293-A1 CYCLOALKYL 3-OXOPIPERAZINE CARBOXAMIDES AND CYCLOHETEROALKYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2024-03-13 EP disclosed
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS SAGE THERAPEUTICS, INC. 2023-09-07 US disclosed
US-20220380338-A1 CYCLOALKYL 3-OXOPIPERAZINE CARBOXAMIDES AND CYCLOHETEROALKYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-12-01 US disclosed
WO-2022235859-A1 CYCLOALKYL 3-OXOPIPERAZINE CARBOXAMIDES AND CYCLOHETEROALKYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-11-10 WO disclosed
US-4710513-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1987-12-01 US disclosed
EP-0216127-A2 6-Phenoxymethyl-4-hydroxytetrahydropyran-2-ones, process for their preparation, their use as medicines, pharmaceutical compositions and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-01 EP disclosed
US-4567289-A ANTICHOLESTEROL ANTILIPEMIC MERCK & CO., INC. (US) 1986-01-28 US disclosed
EP-0038061-B1 SUBSTITUTED BIPHENYL-2-CARBOXALDEHYDES AND A PROCESS FOR PREPARING THEM MERCK & CO. INC. (US) 1985-01-23 EP disclosed
US-4459422-A Substituted pyranone inhibitors of cholesterol synthesis MERCK & CO., INC. (US) 1984-07-10 US disclosed
US-4375475-A ANTICHOLESTEROL AGENTS MERCK & CO., INC. (US) 1983-03-01 US disclosed
US-4322563-A Substituted biphenyl-2-carboxaldehydes MERCK & CO., INC. (US) 1982-03-30 US disclosed
EP-0038061-A1 Substituted biphenyl-2-carboxaldehydes and a process for preparing them MERCK & CO. INC. (US) 1981-10-21 EP 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 (5 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-11945836-B2 Compositions and methods for treating CNS disorders GRIN2B, ADRA2B, ADRA1B ACHE 188/4885GABRA1 13/4885SIGMAR1 123/4885
US-20230279043-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ACHE 188/4885GABRA1 13/4885SIGMAR1 123/4885
US-20250042934-A1 COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS GRIN2B, ADRA2B, ADRA1B ACHE 188/4885GABRA1 13/4885SIGMAR1 123/4885
US-20220380338-A1 CYCLOALKYL 3-OXOPIPERAZINE CARBOXAMIDES AND CYCLOHETEROALKYL 3-OXOPIPERAZINE CARBOXAMIDES AS NAV1.8 INHIBITORS SCN8A, TRPV1, SCN2A ACHE 460/4885GABRA1 1671/4885SIGMAR1 969/4885
US-20040204485-A1 Process of preparing esters and ethers of probucol and derivatives thereof NR3C2, MGLL, GCG ACHE 4145/4885GABRA1 1060/4885SIGMAR1 2401/4885

“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.