SCHEMBL5664409

SCHEMBL5664409

O=C1C=CC(=O)N1C[C@H]1CC[C@H](N2C(=O)CCC2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.37
DRD3 P35462 1/20 0.34
CYP1B1 Q16678 1/20 0.33
MGLL Q99685 4/20 0.32
ALDH1A1 P00352 3/20 0.32
FAAH O00519 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GMNN O75496 1/20 0.32
THPO P40225 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.31
TLR9 Q9NR96 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31

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
SCHEMBL181056 1.00 HTR1A (0.37) HTR1ADRD3CYP1B1MGLLALDH1A1
Bicarbonate SCHEMBL9228837 0.94 HTR1A (0.34) HTR1ADRD3CYP1B1LMNA
SCHEMBL485615 0.83 MGLL (0.44) CYP1B1MGLLALDH1A1FAAHLMNA
SCHEMBL14348230 0.80 CPB2 (0.33) HTR1A
SCHEMBL3800428 0.78 PTGS1 (0.40) MAPK1
SCHEMBL45794 0.78 PTGS1 (0.33)
SCHEMBL322605 0.77
SCHEMBL14788002 0.76 ALOX12 (0.33) HTR1ACYP1B1MGLLPOLB
SCHEMBL20365061 0.75 CYP1B1 (0.44) CYP1B1MGLLALDH1A1FAAHLMNA
SCHEMBL19725975 0.74 BACE1 (0.33) CYP1B1ALDH1A1BLMHPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4396373-A1 SPATIAL MULTIOMICS USING IN SITU REVERSE TRANSCRIPTION Becton, Dickinson and Company (US) 2024-07-10 EP disclosed
EP-4396368-A1 USE OF DECOY POLYNUCLEOTIDES IN SINGLE CELL MULTIOMICS Becton, Dickinson and Company (US) 2024-07-10 EP disclosed
WO-2023034794-A1 RNA PRESERVATION AND RECOVERY FROM FIXED CELLS BECTON, DICKINSON AND COMPANY (US) 2023-03-09 WO disclosed
WO-2023034872-A1 SPATIAL MULTIOMICS USING IN SITU REVERSE TRANSCRIPTION BECTON, DICKINSON AND COMPANY (US) 2023-03-09 WO disclosed
WO-2023034790-A1 USE OF DECOY POLYNUCLEOTIDES IN SINGLE CELL MULTIOMICS BECTON, DICKINSON AND COMPANY (US) 2023-03-09 WO disclosed
EP-3612545-A1 METHODS FOR IDENTIFYING COMPOUNDS X-Chem, Inc. (US) 2020-02-26 EP disclosed
EP-3512856-A1 NOVEL CYTOTOXIC AGENTS AND CONJUGATES THEREOF Polytherics Limited (GB) 2019-07-24 EP disclosed
EP-3405208-A1 COMPOUNDS AND METHODS FOR TREATING INFLAMMATION Tufts Medical Center, Inc. (US) 2018-11-28 EP disclosed
WO-2018195134-A1 METHODS FOR IDENTIFYING COMPOUNDS X-CHEM, INC. (US) 2018-10-25 WO disclosed
WO-2018051109-A1 NOVEL CYTOTOXIC AGENTS AND CONJUGATES THEREOF POLYTHERICS LIMITED (GB) 2018-03-22 WO disclosed
EP-1039834-A4 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP (US) 2001-12-05 EP disclosed
EP-1146911-A2 NOVEL METHODS OF IMAGING AND TREATMENT WITH TARGETED COMPOSITIONS IMARX PHARMACEUTICAL CORP. (US) 2001-10-24 EP disclosed
WO-2001008660-A2 TARGETED FIBERLESS RADIATIVE EFFECTORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-02-08 WO disclosed
EP-1039834-A1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP. (US) 2000-10-04 EP disclosed
EP-1037673-A1 CHARGED LIPIDS AND USES FOR THE SAME IMARX PHARMACEUTICAL CORP. (US) 2000-09-27 EP disclosed
WO-2000045856-A2 NOVEL METHODS OF IMAGING AND TREATMENT WITH TARGETED COMPOSITIONS IMARX PHARMACEUTICAL CORP. (US) 2000-08-10 WO disclosed
EP-0959908-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-12-01 EP disclosed
WO-1999030620-A1 OPTOACOUSTIC CONTRAST AGENTS AND METHODS FOR THEIR USE IMARX PHARMACEUTICAL CORP. (US) 1999-06-24 WO disclosed
WO-1999013919-A1 NOVEL TARGETED CONTRAST AGENTS FOR DIAGNOSTIC AND THERAPEUTIC USE IMARX PHARMACEUTICAL CORP. (US) 1999-03-25 WO disclosed
WO-1998042383-A1 CHARGED LIPIDS AND USES FOR THE SAME IMARX PHARMACEUTICAL CORP. (US) 1998-10-01 WO disclosed