SCHEMBL1686

SCHEMBL1686

N#Cc1ccc2c(c1)COC2c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 3/20 0.40
TRPM5 Q9NZQ8 2/20 0.37
TRPM4 Q8TD43 1/20 0.37
DRD3 P35462 5/20 0.37
SLC6A4 P31645 4/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2C P28335 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
OPRM1 P35372 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37
NPC1 O15118 1/20 0.37
SLC22A1 O15245 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL14199799 1.00 FADS1 (0.40) FADS1TRPM5TRPM4DRD3SLC6A4
SCHEMBL22043585 1.00 FADS1 (0.40) FADS1TRPM5TRPM4DRD3SLC6A4
Oxalic Acid SCHEMBL15154934 0.92 LMNA (0.42) FADS1TRPM5TRPM4SLC6A4HTR7
SCHEMBL16312591 0.86 FADS1 (0.39) FADS1TRPM5TRPM4DRD3SLC6A4
SCHEMBL2812487 0.82 KMT2A (0.45) SLC6A4ALDH1A1BLMLMNA
SCHEMBL6096441 0.78 SLC6A2 (0.49) SLC6A4SLC6A2NPC1ACHESLC6A3
SCHEMBL1777 0.78 KDM1A (0.35) SLC6A4HTR7
SCHEMBL4622856 0.74 SLC5A2 (0.40) SLC6A4SLC6A2SLC6A3
SCHEMBL5936386 0.74 MEN1 (0.38) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL6655779 0.74 NR3C1 (0.33) SLC6A4SLC6A2SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018351-A1 PREPARATION OF ESCITALOPRAM DR. REDDY'S LABORATORIES, INC. (US) 2009-01-15 US claimed
EP-1706394-A4 PREPARATION OF ESCITALOPRAM REDDYS LAB INC DR (US) 2008-10-22 EP claimed
US-7411077-B2 Process for the preparation of a cyano-isobenzofuran ADORKEN TECHNOLOGY SPA (IT) 2008-08-12 US claimed
US-7255741-B2 Process for the isolation of high purity crystalline citalopram base JUBILANT ORGANOSYS LIMITED (IN) 2007-08-14 US claimed
EP-1706394-A1 PREPARATION OF ESCITALOPRAM Dr. Reddy's Laboratories, Inc. (US) 2006-10-04 EP claimed
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA 2006-08-17 US claimed
US-20060167285-A1 Production methods of citalopram and intermediates therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-27 US claimed
CN-1761658-A Process for the preparation of a cyano-isobenzofuran ADORKEM TECHNOLOGY SPA (IT) 2006-04-19 CN claimed
EP-1601662-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN Adorkem Technology SpA (IT) 2005-12-07 EP claimed
US-20050217562-A1 Process for the isolation of high purity crystalline citalopram base JUBILANT ORGANOSYS LIMITED (IN) 2005-10-06 US claimed
WO-2005047274-A1 PREPARATION OF ESCITALOPRAM DR. REDDY'S LABORATORIES, INC. (US) 2005-05-26 WO claimed
US-20050080278-A1 Production methods of citalopram and intermediates therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2005-04-14 US claimed
WO-2004080988-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN ADORKEM TECHNOLOGY SPA (IT) 2004-09-23 WO claimed
WO-2003080590-A1 PROCESS FOR THE ISOLATION OF HIGH PURITY CRYSTALLINE CITALOPRAM BASE JUBILANT ORGANOSYS LTD. (GB) 2003-10-02 WO claimed
EP-1346989-A1 Improved process for the preparation of citalopram and its hydrobromide Jubilant Organosys Limited (IN) 2003-09-24 EP claimed
US-20030060640-A1 Method for the preparation of 5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans H. LUNDBECK A/S (DK) 2003-03-27 US claimed
EP-1274699-A1 METHOD FOR THE PREPARATION OF 5-CYANO-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURANS H. Lundbeck A/S (DK) 2003-01-15 EP claimed
WO-2001068632-A1 METHOD FOR THE PREPARATION OF 5-CYANO-1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURANS H. LUNDBECK A/S (DK) 2001-09-20 WO claimed
EP-4347008-A1 MAJOR DEPRESSIVE DISORDER OR PERSISTENT DEPRESSIVE DISORDER PREVENTION OR TREATMENT WITH LOW INTENSITY AND HIGH FREQUENCY MAGNETIC STIMULATION Actipulse Neuroscience Inc. (US) 2024-04-10 EP disclosed
US-4136193-A ANTI-DEPRESSIVE SUBSTITUTED 1-DIMETHYLAMINOPROPYL-1-PHENYL PHTHALANS KEFALAS A/S (DK) 1979-01-23 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-20050080278-A1 Production methods of citalopram and intermediates therefor TPH1, SLC6A4, CYP4F11 FADS1 85/4885TRPM5 2105/4885TRPM4 2243/4885
US-20060183925-A1 Process for the preparation of a cyano-isobenzofuran HTR1F, CYP4F12, CYP4F3 FADS1 1665/4885TRPM5 1361/4885TRPM4 690/4885
US-20030060640-A1 Method for the preparation of 5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans DPYD, CYP2F1, CYP4F2 FADS1 984/4885TRPM5 4314/4885TRPM4 4693/4885
US-20060167285-A1 Production methods of citalopram and intermediates therefor TPH1, SLC6A4, CYP4F11 FADS1 85/4885TRPM5 2105/4885TRPM4 2243/4885
US-20090018351-A1 PREPARATION OF ESCITALOPRAM HTR4, SLC6A4, HTR5A FADS1 1671/4885TRPM5 1038/4885TRPM4 1355/4885

“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.