Escitalopram

Escitalopram

SCHEMBL522164

Br.CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC6A4

The experimentally established mechanism targets of Escitalopram. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 14/20 1.00
MAPK1 P28482 2/20 1.00
BLM P54132 1/20 1.00
PMP22 Q01453 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
SLC6A2 P23975 2/20 0.98
HTR2C P28335 2/20 0.98
ADRA1A P35348 2/20 0.98
HRH1 P35367 2/20 0.98
OPRM1 P35372 2/20 0.98
DRD3 P35462 2/20 0.98
HTR2B P41595 2/20 0.98
KCNH2 Q12809 2/20 0.98
NPC1 O15118 1/20 0.98
SLC22A1 O15245 1/20 0.98
ALDH1A1 P00352 1/20 0.98
CHRM2 P08172 1/20 0.98
HTR1A P08908 1/20 0.98
CHRM1 P11229 1/20 0.98
DRD1 P21728 1/20 0.98

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
Citalopram SCHEMBL1693551 1.00 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL1118 1.00 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL1286979 1.00 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL41352 1.00 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL946 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
(R)-Citalopram SCHEMBL29414626 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL29494157 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Escitalopram SCHEMBL34948 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
Citalopram SCHEMBL3858802 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1
(R)-Citalopram SCHEMBL13235283 0.99 SLC6A4 (1.00) SLC6A4MAPK1BLMPMP22NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180280405-A1 PHARMACEUTICAL FORMULATIONS OF POTASSIUM ATP CHANNEL OPENERS AND USES THEREOF SOLENO THERAPEUTICS, INC. 2018-10-04 US claimed
EP-1896439-B2 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE LUNDBECK & CO AS H (DK) 2014-10-15 EP claimed
JP-4658613-B2 2011-03-23 JP claimed
EP-2291177-A2 STABLE PHARMACEUTICAL COMPOSITIONS AND THEIR PROCESSES FOR PREPARATION SUITABLE FOR INDUSTRIAL SCALE Farmaprojects, S.A. (ES) 2011-03-09 EP claimed
US-20110046218-A1 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE H. LUNDBECK A/S (DK) 2011-02-24 US claimed
EP-1896439-B1 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE LUNDBECK & CO AS H (DK) 2011-02-02 EP claimed
US-7834201-B2 Crystalline base of escitalopram and orodispersible tablets comprising escitalopram base H. LUNDBECK A/S (DK) 2010-11-16 US claimed
EP-2185155-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DOPAMINE RECEPTOR LIGANDS AND METHODS OF TREATMENT USING DOPAMINE RECPTOR LIGANDS Forest Laboratories Holdings Limited (BM) 2010-05-19 EP claimed
WO-2009135646-A2 STABLE PHARMACEUTICAL COMPOSITIONS AND THEIR PROCESSES FOR PREPARATION SUITABLE FOR INDUSTRIAL SCALE FARMAPROJECTS, SA (ES) 2009-11-12 WO claimed
WO-2009020897-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING DOPAMINE RECEPTOR LIGANDS AND METHODS OF TREATMENT USING DOPAMINE RECPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-02-12 WO claimed
US-20070123584-A1 METHOD OF TREATING PREMENSTRUAL DYSPHORIC DISORDER WITH ESCITALOPRAM H. LUNDBECK A/S (DK) 2007-05-31 US claimed
US-20070021499-A1 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE H. LUNDBECK A/S (DK) 2007-01-25 US claimed
WO-2006136169-A2 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE H. LUNDBECK A/S (DK) 2006-12-28 WO claimed
JP-2006514952-A 2006-05-18 JP claimed
EP-1578738-A1 ESCITALOPRAM HYDROBROMIDE AND A METHOD FOR THE PREPARATION THEREOF H. Lundbeck A/S (DK) 2005-09-28 EP claimed
US-20050137255-A1 Crystalline escitalopram hydrobromide and methods for preparing the same H. LUNDBECK A/S (DK) 2005-06-23 US claimed
WO-2005046673-A1 A METHOD OF TREATING PREMENSTRUAL DYSPHORIC DISORDER WITH ESCITALOPRAM LUNDBECK, H., A/S (DK) 2005-05-26 WO claimed
US-20050101666-A1 Method of treating premenstrual dysphoric disorder with escitalopram H. LUNDBECK A/S (DK) 2005-05-12 US claimed
US-20040167209-A1 Escitalopram hydrobromide and a method for the preparation thereof H. LUNDBECK A/S (DK) 2004-08-26 US claimed
WO-2004056791-A1 ESCITALOPRAM HYDROBROMIDE AND A METHOD FOR THE PREPARATION THEREOF H. LUNDBECK A/S (DK) 2004-07-08 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20050137255-A1 Crystalline escitalopram hydrobromide and methods for preparing the same HTR5A, SLC6A4, HTR1B SLC6A4 2/4885MAPK1 2964/4885BLM 2537/4885
US-20050101666-A1 Method of treating premenstrual dysphoric disorder with escitalopram SLC6A4, SLC6A3, SLC6A2 SLC6A4 1/4885MAPK1 2669/4885BLM 3023/4885
US-20070021499-A1 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE SORD, TPH1, HTR2B SLC6A4 4/4885MAPK1 3196/4885BLM 2550/4885
US-20180280405-A1 PHARMACEUTICAL FORMULATIONS OF POTASSIUM ATP CHANNEL OPENERS AND USES THEREOF KCNJ1, KCNJ11, KCNJ8 SLC6A4 297/4885MAPK1 3079/4885BLM 1378/4885
US-20040167209-A1 Escitalopram hydrobromide and a method for the preparation thereof SLC6A4, SLC6A2, SLC6A3 SLC6A4 1/4885MAPK1 4578/4885BLM 3161/4885
US-20110046218-A1 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE SORD, TPH1, HTR2B SLC6A4 4/4885MAPK1 3196/4885BLM 2550/4885
US-20070123584-A1 METHOD OF TREATING PREMENSTRUAL DYSPHORIC DISORDER WITH ESCITALOPRAM SLC6A4, SLC6A3, SLC6A2 SLC6A4 1/4885MAPK1 2669/4885BLM 3023/4885

“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.