SCHEMBL1226857

SCHEMBL1226857

CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 1.00
SLC6A2 P23975 8/20 0.74
SLC6A3 Q01959 7/20 0.74
CHRNA1 P02708 5/20 0.74
CHRNG P07510 5/20 0.74
CHRNB1 P11230 5/20 0.74
CHRNB2 P17787 5/20 0.74
CHRNB4 P30926 5/20 0.74
CHRNA3 P32297 5/20 0.74
CHRNA4 P43681 5/20 0.74
CHRND Q07001 5/20 0.74
SLC6A4 P31645 4/20 0.74
ITGA5 P08648 1/20 0.74
CYP2C19 P33261 1/20 0.74
HRH1 P35367 1/20 0.74
CHRNA7 P36544 1/20 0.74
OPRK1 P41145 1/20 0.74
KCNH2 Q12809 1/20 0.74
ALDH1A1 P00352 2/20 0.72
BLM P54132 1/20 0.72

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
SCHEMBL2955630 1.00 CYP2B6 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL29486913 1.00 CYP2B6 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL2955633 1.00 CYP2B6 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL29564521 0.91 CYP2B6 (0.83) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
SCHEMBL15478523 0.89 CYP2B6 (0.80) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
Bupropion SCHEMBL38777 0.85 SLC6A3 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
Bupropion SCHEMBL29354885 0.85 SLC6A3 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
Bupropion SCHEMBL29424575 0.85 SLC6A3 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
Bupropion SCHEMBL300444 0.85 SLC6A3 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG
Bupropion SCHEMBL12499296 0.85 SLC6A3 (1.00) CYP2B6SLC6A2SLC6A3CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120283334-A1 Treatment of Viral Infections BIOCOPEA, LTD. (GB) 2012-11-08 US claimed
EP-2464345-A2 TREATMENT OF VIRAL INFECTIONS Biocopea Limited (GB) 2012-06-20 EP claimed
WO-2011018653-A2 TREATMENT OF VIRAL INFECTIONS BIOCOPEA LIMITED (GB) 2011-02-17 WO claimed
CN-117100750-A Pharmaceutical composition and application thereof 深圳信立泰药业股份有限公司 2023-11-24 CN disclosed
CN-114340608-B Pharmaceutical composition and application thereof 深圳信立泰药业股份有限公司 2023-10-31 CN disclosed
CN-116459255-A Use of deuterated dextromethorphan and bupropion in combination in preparation of AD (analog to digital) excitation drugs 深圳信立泰药业股份有限公司 2023-07-21 CN disclosed
CN-114340608-A Pharmaceutical composition and application thereof 深圳信立泰药业股份有限公司 2022-04-12 CN disclosed
WO-2022017300-A1 PHARMACEUTICAL COMPOSITION AND USE THEREOF 深圳信立泰药业股份有限公司 2022-01-27 WO disclosed
US-8653271-B2 Enhancing transdermal delivery of opioid antagonists and agonists using codrugs linked to bupropion or hydroxybupropion UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-02-18 US disclosed
US-20120283334-A1 Treatment of Viral Infections BIOCOPEA, LTD. (GB) 2012-11-08 US disclosed
US-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain BIOCOPEA LIMITED (GB) 2012-08-30 US disclosed
EP-1993525-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-11-26 EP disclosed
US-20080008754-A1 Pharmaceutical Compositions Comprising (+)-(2S,3S)-2-(3-Chlorophenyl)-3,5,5-Trimethyl-2-Morpholinol SMITHKLINE BEECHAM CORPORATION (US) 2008-01-10 US disclosed
US-20080008754-A1 Pharmaceutical Compositions Comprising (+)-(2S,3S)-2-(3-Chlorophenyl)-3,5,5-Trimethyl-2-Morpholinol SMITHKLINE BEECHAM CORPORATION (US) 2008-01-10 US disclosed
WO-2007102008-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 WO disclosed
WO-2007102008-A1 THE USE OF BETA-AMINOALCOHOLS IN THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-09-13 WO disclosed
US-20070093486-A1 Enzyme-catalyzed dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinoland salts and solvates thereof SMITH KLINE BEECHAM CORPORATION ,CORPORATION 2007-04-26 US disclosed
US-20070093486-A1 Enzyme-catalyzed dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinoland salts and solvates thereof SMITH KLINE BEECHAM CORPORATION ,CORPORATION 2007-04-26 US disclosed
US-20070032535-A1 Diastereomeric dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol, salts, and solvates thereof Smith Kline Beecham Corporation D/b/a Glaxo Smith Kline (US) 2007-02-08 US disclosed
US-20070032535-A1 Diastereomeric dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol, salts, and solvates thereof Smith Kline Beecham Corporation D/b/a Glaxo Smith Kline (US) 2007-02-08 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-20120219592-A1 Use of B-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain OPRL1, HRH3, HRH2 CYP2B6 907/4885SLC6A2 2156/4885SLC6A3 3254/4885
US-20070032535-A1 Diastereomeric dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinol, salts, and solvates thereof METTL3, TPMT, MTAP CYP2B6 196/4885SLC6A2 236/4885SLC6A3 115/4885
US-20080008754-A1 Pharmaceutical Compositions Comprising (+)-(2S,3S)-2-(3-Chlorophenyl)-3,5,5-Trimethyl-2-Morpholinol MCOLN3, MCOLN2, LIPA CYP2B6 192/4885SLC6A2 491/4885SLC6A3 620/4885
US-20120283334-A1 Treatment of Viral Infections ELANE, EPX, MAVS CYP2B6 563/4885SLC6A2 2689/4885SLC6A3 3514/4885
US-20070093486-A1 Enzyme-catalyzed dynamic kinetic resolution process for preparing (+)-(2s,3s)-2-(3-chlorophenyl)-3,5,5-trimethyl-2-morpholinoland salts and solvates thereof MTAP, RNGTT, SPR CYP2B6 119/4885SLC6A2 1202/4885SLC6A3 1143/4885

“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.