Cocaine

Cocaine

SCHEMBL21931

COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9A

The experimentally established mechanism targets of Cocaine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN1A known ✓ P35498 1/20 1.00
SCN2A known ✓ Q99250 1/20 1.00
SCN3A known ✓ Q9NY46 1/20 1.00
KCNH2 Q12809 2/20 1.00
SLC6A2 P23975 2/20 1.00
SLC6A4 P31645 2/20 1.00
SLC6A3 Q01959 2/20 1.00
MAPT P10636 1/20 1.00
MAOA P21397 1/20 1.00
SIGMAR1 Q99720 1/20 1.00

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
Cocaine SCHEMBL26609 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL8440314 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL16922143 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL13624557 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL5991910 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL23086019 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL20390951 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL10066803 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL21189582 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT
Cocaine SCHEMBL21930 1.00 KCNH2 (1.00) KCNH2SLC6A2SLC6A4SLC6A3MAPT

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

Appears in 89010 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260144801-A1 COMPOSITIONS AND METHODS FOR PREVENTING OR TREATING MUSCLE CONDITIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2026-05-28 US claimed
US-20260144773-A1 METHODS OF REDUCING PHYSICAL DEPENDENCE TO NEUROPSYCHIATRIC TREATMENTS SUMITOMO PHARMA AMERICA, INC. (US) 2026-05-28 US claimed
EP-4747639-A2 BETA-GALACTOSIDASE ENZYME-BASED IMMUNOASSAY Abbott Diagnostics Scarborough, Inc. (US) 2026-05-27 EP claimed
CN-122081274-A Cocaine esterase multi-site mutant, protein dimer thereof and application thereof 2026-05-26 CN claimed
CN-122075410-A Dry powder composition for intranasal delivery 2026-05-26 CN claimed
CN-122094963-A Cardioprotective lipids and methods of use 2026-05-26 CN claimed
US-12637612-B2 Fluorescent opioid binding compound and uses thereof GEORGE MASON UNIVERSITY 2026-05-26 US claimed
US-20260139032-A1 ACTIVIN RECEPTOR TYPE IIB VARIANTS AND USES THEREOF 35PHARMA INC (CA) 2026-05-21 US claimed
US-20260139860-A1 PRODUCTS OF MANUFACTURE FOR THE TREATMENT, PREVENTION AND AMELIORATION OF MICROBIAL INFECTIONS CENTRE FOR DIGESTIVE DISEASES (AU) 2026-05-21 US claimed
WO-2026106499-A1 OREXIN RECEPTOR ANTAGONISTS: 2-AZABICYCLIC COMPOUNDS BIAL - PORTELA & CA., S.A. (PT) 2026-05-21 WO claimed
US-4353886-A DETECTION OF NARCOTIC VAPORS BY COMPLEXING WITH ANTIBODY IRT CORPORATION (US) 1982-10-12 US claimed
US-4320086-A Paper device for rapid detection of cocaine REISS ANDRE 1982-03-16 US claimed
US-4260517-A Available aroma of cocaine WOODFORD WARREN J 1981-04-07 US claimed
US-4248855-A SALT FORMING NITROGEN COMPOUND AND A POLYMER CONTAINING AN ACID GROUP FOR FORMING A SUSTAINED RELEASE COMPOSITION HYDROPHILICS INTERNATIONAL, INC. (US) 1981-02-03 US claimed
US-4235864-A Simultaneous radio immunoassay of multiple antigens and _assay for cocaine metabolites RESEARCH CORPORATION (US) 1980-11-25 US claimed
US-4207307-A Simultaneous immunoassay of multiple antigens and assay for cocaine metabolites RESEARCH CORPORATION (US) 1980-06-10 US claimed
US-4110078-A CHLOROPLATINIC ACID, COBALTOUS THIOCYANATE, HYDROCARBON LIQUID ZELONIS PAUL THOMAS 1978-08-29 US claimed
US-4104029-A CHEMILUMINESCENT LABELING MAIER JR CHARLES L 1978-08-01 US claimed
US-4102979-A IODINE LABEL, COCAINE HOFFMANN-LA ROCHE INC. (US) 1978-07-25 US claimed
US-4022878-A NATIVE HOMOLOGOUS HAPTEN OR ANTIGEN BIOLOGICAL DEVELOPMENTS, INC. (US) 1977-05-10 US claimed