SCHEMBL2592697

SCHEMBL2592697

CCCCOC(=O)NCCBr

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.67
FAAH O00519 1/20 0.50
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL12360870 0.93 ACHE (0.73) ACHEFAAHEPHX1
SCHEMBL6169501 0.91 ACHE (0.70) ACHEEPHX1
SCHEMBL30405136 0.89 ACHE (0.68) ACHEEPHX1
SCHEMBL20328706 0.88 ACHE (0.59) ACHEFAAHALDH1A1
SCHEMBL25166871 0.87 ACHE (0.71) ACHEEPHX1
SCHEMBL10939707 0.86 ACHE (0.81) ACHEEPHX1
SCHEMBL8381680 0.86 ACHE (0.74) ACHEEPHX1ALDH1A1
SCHEMBL7569673 0.86 ACHE (0.81) ACHEEPHX1
SCHEMBL3975468 0.86 ACHE (0.88) ACHEEPHX1
SCHEMBL34474386 0.84 ACHE (0.57) ACHEEPHX1

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-4665733-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 Bristol-Myers Squibb Company (US) 2025-12-24 EP disclosed
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 EP disclosed
WO-2025132542-A1 MACROCYCLIC OREXIN AGONISTS IDORSIA PHARMACEUTICALS LTD (CH) 2025-06-26 WO disclosed
EP-4419527-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
WO-2024173323-A1 AMINO-SUBSTITUTED PYRROLOTRIAZINE DERIVATIVES AS INHIBITORS OF SGK1 BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-22 WO disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 WO disclosed
WO-2023067355-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed
EP-3986900-A1 TETRAZOLE-SUBSTITUTED PYRAZOLOPYRIMIDINE INHIBITORS OF JAK KINASES AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
EP-3965824-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF HPK1 Icahn School of Medicine at Mount Sinai (US) 2022-03-16 EP disclosed
EP-3145944-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2017-03-29 EP disclosed
EP-1592685-A1 BIPHENYL DERIVATIVES HAVING &bgr; sb 2 /sb ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY Theravance Inc (US) 2005-11-09 EP disclosed
WO-2005051946-A2 COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2005-06-09 WO disclosed
WO-2004106333-A1 AZABICYCLOALKANE COMPOUNDS AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2004-12-09 WO disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed
WO-2004089892-A2 DIARYLMETHYL AND RELATED COMPOUNDS HAVING BETA2 ANDRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE, INC. (US) 2004-10-21 WO disclosed
WO-2004074812-A2 LIBRARY OF BIPHENYL DERIVATIVES USEFUL FOR IDENTIFYING COMPOUNDS HAVING BOTH BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC (US) 2004-09-02 WO disclosed
WO-2004074276-A1 BIPHENYL DERIVATIVES HAVING β2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004074246-A2 BIPHENYL DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY THERAVANCE INC. (US) 2004-09-02 WO disclosed
WO-2004039772-A1 PROCESS FOR PREPARING S-(2-AMINOETHYL)-2-METHYL-L-CYSTEINE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-05-13 WO disclosed