Sugi Predict

Sugi Predict / Compounds / SCHEMBL1683161

SCHEMBL1683161

SCHEMBL1683161

C/C=C(\O[Si](C)(C)C(C)(C)C)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNG P07510 1/20 0.38
▸ ITGA5 P08648 1/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ CHRND Q07001 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ BLM P54132 1/20 0.38

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
SCHEMBL1683164 1.00 SLC6A2 (0.38) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL15007477 0.86 LMNA (0.36) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL15007476 0.86 LMNA (0.36) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL15007468 0.84 ALDH1A1 (0.35) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL15007467 0.84 ALDH1A1 (0.35) SLC6A2CHRNA1CHRNGITGA5CHRNB1
SCHEMBL15007498 0.83 PARP1 (0.39) CYP2C19KCNH2SMN1; SMN2PARP1HPGD
SCHEMBL15007497 0.83 PARP1 (0.39) CYP2C19KCNH2SMN1; SMN2PARP1HPGD
SCHEMBL2599448 0.82 PTGS1 (0.40) CYP2C19ALDH1A1PARP1HTTHPGD
SCHEMBL15007508 0.82 C1S (0.41) ALDH1A1SMN1; SMN2PARP1HTTKDM4E
SCHEMBL2599449 0.82 PTGS1 (0.40) CYP2C19ALDH1A1PARP1HTTHPGD

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
JP-4664505-B2 — — 2011-04-06 — — JP claimed
EP-1759701-A2 Buproprion Metabolites and Methods of Their Synthesis and Use. Sepracor, Inc. (US) 2007-03-07 — — EP claimed
EP-1165086-A4 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR INC (US) 2006-02-08 — — EP claimed
JP-2004513061-A — — 2004-04-30 — — JP claimed
US-20020052340-A1 Bupropion metabolites and methods of their synthesis and use JERUSSI THOMAS P (US) 2002-05-02 — — US claimed
EP-1165086-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE Sepracor Inc. (US) 2002-01-02 — — EP claimed
WO-2000051546-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR INC. (US) 2000-09-08 — — WO claimed
US-9527823-B2 Hydroxybupropion analogues for treating drug dependence RESEARCH TRIANGLE INSTITUTE (US) 2016-12-27 — — US disclosed
EP-2571859-B1 1-PHENYLMORPHOLINE DERIVATIVES AS HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE RES TRIANGLE INST (US) 2015-07-22 — — EP disclosed
US-20150141416-A1 HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE RESEARCH TRIANGLE INSTITUTE 2015-05-21 — — US disclosed
US-8906908-B2 Hydroxybupropion analogues for treating drug dependence RESEARCH TRIANGLE INSTITUTE (US) 2014-12-09 — — US disclosed
US-20130150357-A1 HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE RESEARCH TRIANGLE INSTITUTE (US) 2013-06-13 — — US disclosed
EP-2571859-A2 HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE Research Triangle Institute (US) 2013-03-27 — — EP disclosed
US-20020052341-A1 Bupropion metabolites and methods of their synthesis and use SEPRACOR INC. 2002-05-02 — — US disclosed
US-20020052340-A1 Bupropion metabolites and methods of their synthesis and use JERUSSI THOMAS P (US) 2002-05-02 — — US disclosed
US-6342496-B1 BRAIN DISORDERS SEPRACOR INC. 2002-01-29 — — US disclosed
US-6337328-B1 TREATMENT OF SEXUAL DYSFUNCTION WITH 2-(3-CHLOROPHENYL)-2-HYDROXY-3,5,5-TRIMETHYL-MORPHOLINOL, 1-(3-CHLOROPHENYL)-2-((1,1-DIMETHYLETHANOL)AMINO)-1-PROPANOL, AND SEPRACOR, INC. 2002-01-08 — — US disclosed
EP-1165086-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE Sepracor Inc. (US) 2002-01-02 — — EP disclosed
WO-2001062257-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR INC. (US) 2001-08-30 — — WO disclosed
WO-2000051546-A2 BUPROPION METABOLITES AND METHODS OF THEIR SYNTHESIS AND USE SEPRACOR INC. (US) 2000-09-08 — — WO 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 (4 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-20020052341-A1 Bupropion metabolites and methods of their synthesis and use MAOB, MAOA, HTR5A SLC6A2 6/4885CHRNA1 86/4885CHRNG 171/4885
US-20130150357-A1 HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE SLC6A2, SLC6A3, HTR3B SLC6A2 1/4885CHRNA1 24/4885CHRNG 26/4885
US-20150141416-A1 HYDROXYBUPROPION ANALOGUES FOR TREATING DRUG DEPENDENCE SLC6A2, SLC6A3, HTR3B SLC6A2 1/4885CHRNA1 24/4885CHRNG 26/4885
US-20020052340-A1 Bupropion metabolites and methods of their synthesis and use MAOB, MAOA, HTR5A SLC6A2 4/4885CHRNA1 76/4885CHRNG 200/4885

“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.