SCHEMBL355889

SCHEMBL355889

B.CC(C)(C)SCCSC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
HTR7 P34969 1/20 0.53
GBA1 P04062 2/20 0.32
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3391323 0.96 HTR1A (0.56) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL6889648 0.88 HTR1A (0.50) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL15907944 0.85 HTR1A (0.48) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL10396554 0.77 HTR1A (0.48) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL20250954 0.77 HTR1A (0.48) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL1704306 0.77
SCHEMBL10396090 0.77 HTR1A (0.48) HTR1ADRD2HTR2AHTR7GBA1
SCHEMBL8991382 0.75 HTR1A (0.40) HTR1ADRD2HTR2AHTR7
SCHEMBL7206025 0.74
SCHEMBL2351897 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899317-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE Teva Pharmaceutical Industries Ltd (IL) 2008-03-19 EP claimed
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US claimed
WO-2007123900-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-01 WO claimed
WO-2023228980-A1 PRODUCTION METHOD FOR FLUOROPOLYETHER GROUP–CONTAINING COMPOUND ダイキン工業株式会社 2023-11-30 WO disclosed
US-11723900-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-15 US disclosed
US-20230226525-A1 PLATINUM-TUNGSTEN SOLID SOLUTION PARTICLES AND CATALYST CONTAINING SAME NIPPON SODA CO., LTD. (JP) 2023-07-20 US disclosed
EP-4169611-A1 PLATINUM-TUNGSTEN SOLID SOLUTION PARTICLES AND CATALYST CONTAINING SAME Nippon Soda Co., Ltd. (JP) 2023-04-26 EP disclosed
US-20220087995-A1 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2022-03-24 US disclosed
US-10946007-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-03-16 US disclosed
US-20200316048-A1 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-10-08 US disclosed
US-10722504-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds THERAVANCE BIOPHARMA R&D IP, LLC (US) 2020-07-28 US disclosed
US-20090318720-A1 Process for selectively synthesising 3 alpha-hydroxychlormadinone acetate GRUNENTHAL GMBH (DE) 2009-12-24 US disclosed
EP-2114862-A1 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE Merck Generics (UK) Limited (GB) 2009-11-11 EP disclosed
WO-2008093142-A1 PROCESS FOR THE PREPARATION OF O-DESMETHYL VENLAFAXINE GENERICS [UK] LIMITED (GB) 2008-08-07 WO disclosed
EP-1899317-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE Teva Pharmaceutical Industries Ltd (IL) 2008-03-19 EP disclosed
US-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine TEVA PHARMACEUTICALS USA, INC. 2008-01-17 US disclosed
WO-2007123900-A2 ENANTIOMERS OF N,N-DIMETHYL-3-(2-THIENYL)-3-HYDROXYPROPANAMINE BORANE AS INTERMEDIATES IN THE SYNTHESIS OF DULOXETINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2007-11-01 WO disclosed
US-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof MEDPOINTE HEALTHCARE INC. 2006-10-26 US disclosed
EP-1582250-A2 Absorbent with improved ocidation resistance and process for deacidifying fluid fluxes BASF AKTIENGESELLSCHAFT (DE) 2005-10-05 EP disclosed
US-20050202967-A1 an aliphatic amine, in particular an alkanolamine, and a non-hydroquinoid antioxidant for removal of CO2, H2S, SO2, CS2, HCN, COS, disulfides or mercaptans as impurities in reaction gases formed in the oxidation of organic materials to prevent the emission of above gases BASF AKTIENGESELLSCHAFT (DE) 2005-09-15 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 (8 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-20080015362-A1 Process for the preparation of optically active (S)-(+)-N,N-dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine HTR3A, PNMT, TPH1 HTR1A 4/4885DRD2 78/4885HTR2A 32/4885
US-10946007-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds SLC6A2, SLC6A4, HTR6 HTR1A 9/4885DRD2 15/4885HTR2A 31/4885
US-20200316048-A1 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS SLC6A2, SLC6A4, HTR6 HTR1A 9/4885DRD2 15/4885HTR2A 31/4885
US-11723900-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds SLC6A2, SLC6A4, HTR6 HTR1A 9/4885DRD2 15/4885HTR2A 31/4885
US-10722504-B2 4-[2-(2-fluorophenoxymethyl)phenyl]piperidine compounds SLC6A2, SLC6A4, HTR6 HTR1A 9/4885DRD2 15/4885HTR2A 31/4885
US-20220087995-A1 4-[2-(2-FLUOROPHENOXYMETHYL)PHENYL]PIPERIDINE COMPOUNDS SLC6A2, SLC6A4, HTR6 HTR1A 9/4885DRD2 15/4885HTR2A 31/4885
US-20060241298-A1 Methods for synthesis of dicarbamate compounds and intermediates in the formation thereof CPS1, ME1, TALDO1 HTR1A 4849/4885DRD2 4226/4885HTR2A 4875/4885
US-20090318720-A1 Process for selectively synthesising 3 alpha-hydroxychlormadinone acetate CYP51A1, HSD17B7, HSD17B13 HTR1A 1914/4885DRD2 1333/4885HTR2A 2623/4885

“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.