SCHEMBL4311549

SCHEMBL4311549

N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 9/20 1.00
GRIA2 P42262 9/20 1.00
GRIA4 P48058 9/20 1.00
GRIK5 Q16478 9/20 1.00
CYP1A2 P05177 2/20 0.69
BLM P54132 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
KDM4E B2RXH2 1/20 0.69
GRIA3 P42263 1/20 0.69
DTYMK P23919 1/20 0.45

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
SCHEMBL12648446 1.00 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL13184606 0.84 GRIA1 (0.72) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL401659 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8631021 0.82 GRIA1 (0.69) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL8296644 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL5000789 0.82 GRIA1 (1.00) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL13957600 0.82 GRIA1 (0.69) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL2153060 0.76 GRIA1 (0.60) GRIA1GRIA2GRIA4GRIK5CYP1A2
SCHEMBL19873722 0.73 DTYMK (0.58) GRIA1GRIA2GRIA4GRIK5CYP1A2
(S)-Willardiine SCHEMBL438494 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA4GRIK5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
WO-2022138943-A1 PRODUCTION METHOD FOR NON-HUMAN MODEL ANIMAL WITH MENTAL DISORDER OR NEUROLOGICAL DISORDER, SAID NON-HUMAN MODEL ANIMAL, AND METHOD FOR SCREENING FOR PROPHYLACTIC OR THERAPEUTIC AGENT FOR SAID MENTAL DISORDER OR NEUROLOGICAL DISORDER 公立大学法人横浜市立大学 2022-06-30 WO disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
EP-3681504-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE Icagen, Inc. (US) 2020-07-22 EP disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
WO-2019055754-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN, INC. (US) 2019-03-21 WO disclosed
WO-2018204764-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION (US) 2018-11-08 WO disclosed
US-20150309021-A1 Advanced Drug Development and Manufacturing LOS ALAMOS NATIONAL SECURITY, LLC 2015-10-29 US disclosed
EP-2511844-B1 X-ray microscope XRPRO SCIENCES INC (US) 2015-08-12 EP disclosed
EP-2511844-A2 Advanced drug development and manufacturing Los Alamos National Security, LLC (US) 2012-10-17 EP disclosed
EP-2084519-B1 X-RAY FLUORESCENCE ANALYSIS METHOD LOS ALAMOS NAT SECURITY LLC (US) 2012-08-01 EP disclosed
EP-2084519-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING Los Alamos National Security, LLC (US) 2009-08-05 EP disclosed
WO-2008127291-A2 ADVANCED DRUG DEVELOPMENT AND MANUFACTURING LOS ALAMOS NATIONAL SECURITY, LLC (US) 2008-10-23 WO disclosed
US-20080220441-A1 Advanced drug development and manufacturing THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2008-09-11 US disclosed