SCHEMBL6921059

SCHEMBL6921059

OC(O)Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.63
FDPS P14324 2/20 0.58
GRIN2D O15399 1/20 0.55
GRIN3B O60391 1/20 0.55
GRIN1 Q05586 1/20 0.55
GRIN2A Q12879 1/20 0.55
GRIN2B Q13224 1/20 0.55
GRIN2C Q14957 1/20 0.55
GRIN3A Q8TCU5 1/20 0.55
HRH1 P35367 1/20 0.48
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
MAOA P21397 1/20 0.44

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
SCHEMBL5762419 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7979864 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL27581948 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL29785749 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL1039370 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL4028421 0.83 GRIN2D (0.61) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL12532007 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL7085644 0.83 PTPRA (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL18622385 0.81 GRIN2D (0.59) PTPRAFDPSGRIN2DGRIN3BGRIN1
SCHEMBL1856670 0.80 HRH1 (0.57) PTPRAFDPSHRH1SMN1; SMN2TDP1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117368160-A Method for verifying iron death in neurodegenerative diseases and application of method 西南医科大学 2024-01-09 CN claimed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US claimed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 EP claimed
EP-0435127-A2 3-Substituted pyridines BASF Aktiengesellschaft (DE) 1991-07-03 EP claimed
CN-117368160-A Method for verifying iron death in neurodegenerative diseases and application of method 西南医科大学 2024-01-09 CN disclosed
US-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-6642387-B2 Dehalogenation esterification; efficient; no toxic materials KANEKA CORPORATION (JP) 2003-11-04 US disclosed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US disclosed
US-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same KANEKA CORPORATION (JP) 2003-07-10 US disclosed
US-6515134-B1 A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of KANEKA CORPORATION (JP) 2003-02-04 US disclosed
US-6515134-B1 A production method of an optically active hydroxyethyl pyridine derivative represented by the general formula which comprises using a microorganism-derived carbonyl reducing enzyme or a culture of a microorganism having an ability of KANEKA CORPORATION (JP) 2003-02-04 US disclosed
EP-1153919-A4 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORP (JP) 2002-10-02 EP disclosed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 EP disclosed
EP-1153919-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE BETA3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2001-11-14 EP disclosed
WO-2000048997-A1 SUBSTITUTED ACETYLPYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION OF INTERMEDIATES FOR OPTICALLY ACTIVE β3 AGONIST BY THE USE OF THE SAME KANEKA CORPORATION (JP) 2000-08-24 WO disclosed
US-5194441-A Fungicides BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
US-4138410-A Flavoring agent FIRMENICH & CIE (CH) 1979-02-06 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 (1 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-20030130521-A1 Substituted acetylpyridine derivatives and process for the preparation of intermediates for optically active beta3 agonist by the use of the same ADRB3, ADRB2, ADRB1 PTPRA 4519/4885FDPS 1838/4885GRIN2D 288/4885

“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.