SCHEMBL339642

SCHEMBL339642

CN(C)CCCC1(c2ccc(F)cc2)OCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.75
NPC1 O15118 1/20 0.67
SLC22A1 O15245 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CHRM2 P08172 1/20 0.67
HTR1A P08908 1/20 0.67
CHRM1 P11229 1/20 0.67
DRD1 P21728 1/20 0.67
ACHE P22303 1/20 0.67
SLC6A2 P23975 1/20 0.67
HRH2 P25021 1/20 0.67
ADRA1D P25100 1/20 0.67
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
ADRA1A P35348 1/20 0.67
HRH1 P35367 1/20 0.67
OPRM1 P35372 1/20 0.67
DRD3 P35462 1/20 0.67
HTR2B P41595 1/20 0.67
SLC6A3 Q01959 1/20 0.67

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
SCHEMBL2009409 1.00 SLC6A4 (0.75) SLC6A4NPC1SLC22A1ALDH1A1CHRM2
SCHEMBL2006721 1.00 SLC6A4 (0.75) SLC6A4NPC1SLC22A1ALDH1A1CHRM2
SCHEMBL7688733 0.99 SLC6A4 (0.73) SLC6A4NPC1SLC22A1ALDH1A1CHRM2
SCHEMBL30681653 0.90 SLC6A4 (0.69) SLC6A4
SCHEMBL1120 0.90 SLC6A4 (0.75) SLC6A4
Hydrochloric Acid SCHEMBL143594 0.88 SLC6A4 (0.73) SLC6A4
SCHEMBL141623 0.88 SLC6A4 (0.83) SLC6A4NPC1SLC22A1ALDH1A1CHRM2
SCHEMBL29582298 0.85 SLC6A4 (0.56) SLC6A4NPC1SLC22A1ALDH1A1CHRM2
SCHEMBL2872832 0.85 SLC6A4 (0.68) SLC6A4
SCHEMBL3408141 0.85 SLC6A4 (0.57) SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251410-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS SUN PHARMA GLOBAL FZE (AE) 2011-10-13 US claimed
US-7989645-B2 Escitalopram with chiral purity greater than 99.8% obtained in more than 50% yield; without chiral chromatographic separation SUN PHARMA GLOBAL FZE (AE) 2011-08-02 US claimed
US-7964742-B2 including preparation of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile intermediate by cyclization of 4-[4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxy-1-butyl]-3-(hydroxymethyl)benzonitrile in the presence of a base SUN PHARMA GLOBAL FZE (AE) 2011-06-21 US claimed
US-20100249437-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS SUN PHARMA GLOBAL FZE (AE) 2010-09-30 US claimed
EP-2141156-A1 Process for Preparation of Citalopram and Enantiomers Sun Pharma Global FZE (AE) 2010-01-06 EP claimed
US-20090326249-A1 Process for Preparation of Citalopram and Enantiomers SUN PHARMA GLOBAL FZE (AE) 2009-12-31 US claimed
US-20080177096-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS SUN PHARMACEUTICAL INDUSTRIES LTD. (IN) 2008-07-24 US claimed
EP-1797060-A2 \"PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS\ Sun Pharmaceutical Industries Limited (IN) 2007-06-20 EP claimed
US-7148364-B2 Process for the preparation of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile SUN PHARMACEUTICAL INDUSTRIES (IN) 2006-12-12 US claimed
US-7019153-B2 Process for hydrogenolysis of [1-(3-dimethylamino)propyl)]-1-(4-fluorophenyl)-1,3-dihydro-5-halo-isobenzofuran acetamido-3-substituted-3-cephem-4-carboxylic acid SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-28 US claimed
WO-2006021971-A2 'PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS' SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2006-03-02 WO claimed
EP-1486492-A9 A process for hydrogenolysis of [1-(3-dimethylamino)propyl)]-1-(4-fluorophenyl)-1,3-dihydro-5-halo-isobenzofuran. Sun Pharmaceutical Industries Limited (IN) 2005-06-08 EP claimed
US-20050043550-A1 Process for the preparation of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-02-24 US claimed
US-20050004380-A1 Process for hydrogenolysis of [1-(3-dimethylamino)propyl)]-1-(4-fluorophenyl)-1,3-dihydro-5-halo-isobenzofuran acetamido]-3-substituted-3-cephem-4-carboxylic acid SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2005-01-06 US claimed
EP-1486492-A2 A process for hydrogenolysis of [1-(3-dimethylamino)propyl)]-1-(4-fluorophenyl)-1,3-dihydro-5-halo-isobenzofuran. Sun Pharmaceuticals Industries Ltd. (IN) 2004-12-15 EP claimed
WO-2003057132-A2 PROCESS FOR THE PREPARATION OF 1-[3-(DIMETHYLAMINO)PROPYL]-1-(4-FLUOROPHENYL)- 1,3-DIHYDRO-5-ISOBENZOFURAN CARBONITRILE SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2003-07-17 WO claimed
WO-1996001107-A1 USE OF PHARMACEUTICAL AGENTS FOR RESTORING, ALLEVIATION, OR TREATMENT OF IMMUNODEFICIENCY, INCLUDING THE ALLEVIATION OR TREATMENT OF THE IMMUNE DYSFUNCTION RELATED TO INFECTION WITH HUMAN IMMUNODEFICIENCY VIRUSES (HIV) OR RELATED VIRUSES HOFMANN BO ARNE (DK) 1996-01-18 WO claimed
WO-2020060011-A1 NOVEL PREPARATION METHOD FOR CITALOPRAM AND ESCITALOPRAM USING CARBONATES (주)유케이케미팜 2020-03-26 WO disclosed
WO-2000013648-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-16 WO disclosed
WO-2000011926-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-09 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 (6 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-20050004380-A1 Process for hydrogenolysis of [1-(3-dimethylamino)propyl)]-1-(4-fluorophenyl)-1,3-dihydro-5-halo-isobenzofuran acetamido]-3-substituted-3-cephem-4-carboxylic acid P4HA1, HYOU1, HDHD5 SLC6A4 3581/4885NPC1 1346/4885SLC22A1 2737/4885
US-20110251410-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS HTR1F, CYP2F1, CYP4F11 SLC6A4 142/4885NPC1 901/4885SLC22A1 1861/4885
US-20090326249-A1 Process for Preparation of Citalopram and Enantiomers HTR1F, CYP2F1, CYP4F11 SLC6A4 71/4885NPC1 1448/4885SLC22A1 1550/4885
US-20100249437-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS HTR1F, CYP2F1, CYP4F11 SLC6A4 71/4885NPC1 1448/4885SLC22A1 1550/4885
US-20050043550-A1 Process for the preparation of 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofuran carbonitrile LMNA, LMNB1, LMNB2 SLC6A4 3525/4885NPC1 93/4885SLC22A1 3309/4885
US-20080177096-A1 PROCESS FOR PREPARATION OF CITALOPRAM AND ENANTIOMERS HTR1F, CYP2F1, CYP4F11 SLC6A4 142/4885NPC1 901/4885SLC22A1 1861/4885

“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.