SCHEMBL504205

SCHEMBL504205

CC(CC(C#N)(c1ccccc1)c1ccccc1)N(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
CYP2D6 P10635 3/20 0.56
DRD4 P21917 3/20 0.56
DRD3 P35462 3/20 0.56
DRD2 P14416 2/20 0.56
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 1/20 0.54
GRIN1 Q05586 6/20 0.50
GRIN2A Q12879 6/20 0.50
GRIN2D O15399 5/20 0.50
GRIN2C Q14957 5/20 0.50
GRIN2B Q13224 4/20 0.50
KCNH2 Q12809 2/20 0.49
CACNA1F O60840 1/20 0.49
ABCB1 P08183 1/20 0.49
CYP2B6 P20813 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49

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
SCHEMBL8061907 1.00 OPRM1 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL8059835 1.00 OPRM1 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL6560350 0.89 CYP2D6 (0.46) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL15154320 0.85 CYP2D6 (0.43) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL9397304 0.84 CYP2D6 (0.44) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL11600169 0.82 CYP2D6 (0.51) OPRM1CYP2D6DRD4DRD3DRD2
Isoaminile SCHEMBL1642905 0.80 EBP (0.52) OPRM1CYP2D6DRD4DRD3DRD2
Etaminile SCHEMBL2108910 0.79 GRIN1 (0.50) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL11728209 0.79 CYP2D6 (0.56) OPRM1CYP2D6DRD4DRD3DRD2
SCHEMBL28302049 0.79 CYP2D6 (0.56) OPRM1CYP2D6DRD4DRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385421-A4 IDENTIFICATION, DIAGNOSIS, AND TREATMENT OF NEUROPATHOLOGIES, NEUROTOXICITIES, TUMORS, AND BRAIN AND SPINAL CORD INJURIES USING MICROELECTRODES WITH MICROVOLTAMMETRY UNIV CITY (US) 2007-01-24 EP claimed
US-7112319-B2 Identification, diagnosis, and treatment of neuropathologies, neurotoxicities, tumors, and brain and spinal cord injuries using microelectrodes with microvoltammetry THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2006-09-26 US claimed
EP-1385421-A2 IDENTIFICATION, DIAGNOSIS, AND TREATMENT OF NEUROPATHOLOGIES, NEUROTOXICITIES, TUMORS, AND BRAIN AND SPINAL CORD INJURIES USING MICROELECTRODES WITH MICROVOLTAMMETRY The Research Foundation Of the City university of New York (US) 2004-02-04 EP claimed
US-20030032001-A1 Identification, diagnosis, and treatment of neuropathologies, neurotoxicities, tumors, and brain and spinal cord injuries using microelectrodes with microvoltammetry RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK, THE 2003-02-13 US claimed
WO-2002082970-A2 DIAGNOSIS AND TREATMENT OF NEURAL DISEASE AND INJURY USING MICROVOLTAMMETRY THE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2002-10-24 WO claimed
US-4242274-A DIPHENYLACETONITRILE, 1-(DIMETHYLAMINO)-2-HALOPROPANE, A BASE, WATER, A SOLVENT, AND A QUATERNARY CATALYST MALLINCKRODT, INC. (US) 1980-12-30 US claimed
US-4048211-A Modification of methadone synthesis process step ELI LILLY AND COMPANY (US) 1977-09-13 US claimed
WO-2025123013-A1 COMPOSITIONS FOR TREATING ADDICTION, DEPENDENCE, WITHDRAWAL, AND/OR OPIOID INDUCED HYPERALGESIA CASE WESTERN RESERVE UNIVERSITY (US) 2025-06-12 WO disclosed
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY 2025-01-09 US disclosed
WO-2024261775-A1 A DRUG-ANTAGONIST COMBINATION DOSAGE FORM PATEL JAYENDRAKUMAR DASHARATHLAL (IN) 2024-12-26 WO disclosed
US-20240390384-A1 METHODS FOR ACUTE AND LONG-TERM TREATMENT OF OPIOID AND OPIOID-LIKE DRUG ADDICTION ATAI THERAPEUTICS, INC. 2024-11-28 US disclosed
US-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES MANFREDI PAOLO L (US) 2024-07-04 US disclosed
EP-4373484-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2024-05-29 EP disclosed
EP-0187700-B1 NOVEL AMINOALKYL SUBSTITUTED UREA DERIVATIVES, ACID ADDITION SALTS THEREOF AND ENATIOMERS H. LUNDBECK A/S (DK) 1990-04-25 EP disclosed
US-4650900-A ANTITUMOR AGENTS H. LUNDBECK A/S (DK) 1987-03-17 US disclosed
EP-0187700-A1 Novel aminoalkyl substituted urea derivatives, acid addition salts thereof and enatiomers H. LUNDBECK A/S (DK) 1986-07-16 EP disclosed
US-4242274-A DIPHENYLACETONITRILE, 1-(DIMETHYLAMINO)-2-HALOPROPANE, A BASE, WATER, A SOLVENT, AND A QUATERNARY CATALYST MALLINCKRODT, INC. (US) 1980-12-30 US disclosed
US-4242274-A DIPHENYLACETONITRILE, 1-(DIMETHYLAMINO)-2-HALOPROPANE, A BASE, WATER, A SOLVENT, AND A QUATERNARY CATALYST MALLINCKRODT, INC. (US) 1980-12-30 US disclosed
US-4242274-A DIPHENYLACETONITRILE, 1-(DIMETHYLAMINO)-2-HALOPROPANE, A BASE, WATER, A SOLVENT, AND A QUATERNARY CATALYST MALLINCKRODT, INC. (US) 1980-12-30 US disclosed
US-4048211-A Modification of methadone synthesis process step ELI LILLY AND COMPANY (US) 1977-09-13 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 (3 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-20240217919-A1 NOVEL METHODS FOR SYNTHESIZING ENANTIOPURE (S)-METHADONE, (R)-METHADONE, RACEMIC (R,S)-METHADONE AND RELATED ANALOGUE SUBSTANCES OPRM1, OPRD1, OPRK1 OPRM1 1/4885CYP2D6 102/4885DRD4 46/4885
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL OPRM1, OPRK1, OPRD1 OPRM1 1/4885CYP2D6 280/4885DRD4 58/4885
US-20240390384-A1 METHODS FOR ACUTE AND LONG-TERM TREATMENT OF OPIOID AND OPIOID-LIKE DRUG ADDICTION OPRK1, OPRD1, OPRM1 OPRM1 3/4885CYP2D6 307/4885DRD4 220/4885

“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.