SCHEMBL4424027

SCHEMBL4424027

CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](COc2ccc3c(c2)OCO3)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
CYP3A4 P08684 4/20 0.55
HTR1A P08908 4/20 0.55
TP53 P04637 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
GRK2 P25098 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP2C9 P11712 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NPC1 O15118 1/20 0.55
CACNA1F O60840 1/20 0.55
MPO P05164 1/20 0.55
ADRB2 P07550 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55
ABCB1 P08183 1/20 0.55
CHRM5 P08912 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
CHRM1 P11229 1/20 0.55

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
SCHEMBL6848654 1.00 L3MBTL1 (0.63) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL4426369 1.00 L3MBTL1 (0.63) L3MBTL1CYP3A4HTR1ATP53CYP1A2
Hydrochloric Acid SCHEMBL4434782 0.99 L3MBTL1 (0.62) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL20336692 0.89 L3MBTL1 (0.52) L3MBTL1GRK2
SCHEMBL18344975 0.88 L3MBTL1 (0.51) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL14609009 0.87 L3MBTL1 (0.66) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL5329429 0.87 L3MBTL1 (0.66) L3MBTL1CYP3A4HTR1ATP53CYP1A2
SCHEMBL20336728 0.87 L3MBTL1 (0.51) L3MBTL1GRK2
SCHEMBL20336731 0.87 L3MBTL1 (0.51) L3MBTL1GRK2
SCHEMBL20336729 0.87 L3MBTL1 (0.51) L3MBTL1GRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812827-B1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMITOMO CHEMICAL CO (JP) 2009-09-02 EP claimed
US-20060041138-A1 Process for producing paroxetine hydrochloride hydrate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-23 US claimed
US-6610851-B1 1-tert-butoxycarbonyl-4-(4-fluorophenyl)-3-((3,4-methylene dioxyphenyl)oxymethyl)piperidine; reacting 4-(4-fluorophenyl)-3-hydroxymethylpiperidine with di-tert-butyl dicarbonate to form the carbamate; 3,4-methylenedioxyphenol SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-08-26 US claimed
US-6476227-B1 Piperidine derivative and process for preparing the same SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-11-05 US claimed
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 EP claimed
EP-3580207-B1 DIAZOMETHYLATION REAGENT AND PROCESS FOR USING IT FUNDACIO PRIVADA INSTITUT CATALA DINVESTIGACIO QUIM ICIQ (ES) 2020-11-11 EP disclosed
EP-0812827-B1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMITOMO CHEMICAL CO (JP) 2009-09-02 EP disclosed
EP-1555263-A4 PROCESS FOR PRODUCING PAROXETINE HYDROCHLORIDE HYDRATE SUMITOMO CHEMICAL CO (JP) 2008-04-16 EP disclosed
US-20060041138-A1 Process for producing paroxetine hydrochloride hydrate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-02-23 US disclosed
EP-1555263-A1 PROCESS FOR PRODUCING PAROXETINE HYDROCHLORIDE HYDRATE Sumitomo Chemical Company, Limited (JP) 2005-07-20 EP disclosed
US-20040247667-A1 Novel compound SMITHKLINE BEECHAM P.L.C. 2004-12-09 US disclosed
US-6815548-B2 MINTERMEDIATE FOR PHARMACEUTICALS SUCH AS PAROXETINE USEFUL AS ANTIDEPRESSANTS, REPRESENTED BY THE GENERAL FORMULA (I): SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-11-09 US disclosed
EP-0970955-B1 Paroxetine methanesulfonate SMITHKLINE BEECHAM PLC (GB) 2000-08-02 EP disclosed
EP-1020464-A1 Paroxetine methansulfonate SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
EP-1020463-A1 Paroxetine methanesulfonate SMITHKLINE BEECHAM PLC (GB) 2000-07-19 EP disclosed
US-6063927-A CRYSTALLINE PAROXETINE METHANESULFONATE; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS, PARKINSON'S DISEASE SMITHKLINE BEECHAM PLC (GB) 2000-05-16 US disclosed
EP-0990655-A1 METHOD FOR DRYING ANHYDROUS PAROXETINE HYDROCHLORIDE SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2000-04-05 EP disclosed
EP-0970955-A1 Paroxetine methanesulfonate SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP disclosed
US-5948914-A PREPARING 4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLPIPERIDINE BY OPTICALLY RESOLVING WITH O-CHLOROTARTRANILIC ACID; CHEMICAL INTERMEDIATE FOR DRUGS SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-09-07 US disclosed
EP-0812827-A1 Piperidine derivative as intermediates for the preparation of paroxetine and process for their preparation SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1997-12-17 EP disclosed