SCHEMBL503892

SCHEMBL503892

CCN1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.73
OPRD1 P41143 6/20 0.73
OPRK1 P41145 6/20 0.73
AKR1C1 Q04828 1/20 0.58
SLC22A1 O15245 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
KCNH2 Q12809 1/20 0.56
KMT2A Q03164 2/20 0.55
TET3 O43151 1/20 0.55
FBXL19 Q6PCT2 1/20 0.55
CXXC5 Q7LFL8 1/20 0.55
TET1 Q8NFU7 1/20 0.55
KDM2B Q8NHM5 1/20 0.55
CXXC4 Q9H2H0 1/20 0.55
KDM2A Q9Y2K7 1/20 0.55
KCNA3 P22001 1/20 0.53

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
SCHEMBL6504241 0.90 OPRM1 (0.65) OPRM1OPRD1OPRK1AKR1C1SLC22A1
SCHEMBL8440281 0.89 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8437630 0.87 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6499228 0.87 OPRM1 (0.61) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL17520399 0.87 OPRM1 (0.69) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6496131 0.86 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL6498839 0.86 HSD11B1 (0.63) OPRM1OPRD1OPRK1KMT2ATET3
SCHEMBL12121940 0.86 KMT2A (0.58) OPRM1OPRD1OPRK1KMT2ATET3
SCHEMBL9065208 0.84 OPRM1 (0.65) OPRM1OPRD1OPRK1KMT2AKCNA3
SCHEMBL11712071 0.84 OPRM1 (1.00) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153099-A2 METHOD FOR USING EXHALED BREATH TO DETERMINE THE PRESENCE OF DRUG Pulmonary Analytics (US) 2014-09-25 WO claimed
US-20140288454-A1 Method For Using Exhaled Breath to Determine the Presence of Drug Pulmonary Analytics (US) 2014-09-25 US claimed
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
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
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
EP-4373484-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL CASE WESTERN RESERVE UNIVERSITY (US) 2024-05-29 EP disclosed
US-20230390281-A1 OPIOID FOR USE TO REDUCE AND/OR DRUG ADDICTION DMK PHARMACEUTICALS CORPORATION 2023-12-07 US disclosed
US-11779581-B2 Opioid for use to reduce and/or treat drug addiction DMK PHARMACEUTICALS CORPORATION (US) 2023-10-10 US disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2004073714-A1 USE OF PALONOSETRON TREATING POST-OPERATIVE NAUSEA AND VOMITING HELSINN HEALTHCARE S.A. (CH) 2004-09-02 WO disclosed
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 disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
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 disclosed
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 disclosed
US-4072686-A ANTIDIARRHEAL G. D. SEARLE & CO. (US) 1978-02-07 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 (5 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-11779581-B2 Opioid for use to reduce and/or treat drug addiction OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 OPRM1 494/4885OPRD1 565/4885OPRK1 246/4885
US-20230390281-A1 OPIOID FOR USE TO REDUCE AND/OR DRUG ADDICTION OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20250009706-A1 COMPOSITIONS AND METHODS FOR TREATING OPIOID DEPENDENCE AND WITHDRAWAL OPRM1, OPRK1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 2/4885
US-20240390384-A1 METHODS FOR ACUTE AND LONG-TERM TREATMENT OF OPIOID AND OPIOID-LIKE DRUG ADDICTION OPRK1, OPRD1, OPRM1 OPRM1 3/4885OPRD1 2/4885OPRK1 1/4885

“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.