SCHEMBL141871

SCHEMBL141871

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(Cl)ccc21

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.76
SLC6A2 P23975 2/20 0.72
HTR2C P28335 2/20 0.72
ADRA1A P35348 2/20 0.72
HRH1 P35367 2/20 0.72
OPRM1 P35372 2/20 0.72
DRD3 P35462 2/20 0.72
HTR2B P41595 2/20 0.72
KCNH2 Q12809 2/20 0.72
NPC1 O15118 1/20 0.72
SLC22A1 O15245 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD1 P21728 1/20 0.72
ACHE P22303 1/20 0.72
HRH2 P25021 1/20 0.72
ADRA1D P25100 1/20 0.72
HTR2A P28223 1/20 0.72

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
SCHEMBL2868968 1.00 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL144543 0.93 SLC6A4 (0.72) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL141945 0.93 SLC6A4 (0.65) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL141623 0.91 SLC6A4 (0.83) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL4169521 0.89 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL144619 0.89 SLC6A4 (0.72) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL12780358 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2615213 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL4169876 0.86 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL13234952 0.86 SLC6A4 (0.84) SLC6A4SLC6A2HTR2CADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896439-B2 CRYSTALLINE BASE OF ESCITALOPRAM AND ORODISPERSIBLE TABLETS COMPRISING ESCITALOPRAM BASE LUNDBECK & CO AS H (DK) 2014-10-15 EP disclosed
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS ZALICUS INC. (US) 2012-03-08 US disclosed
US-8080553-B2 Methods and reagents for the treatment of immunoinflammatory disorders ZALICUS INC. (US) 2011-12-20 US disclosed
EP-2301628-A1 Methods and reagents for the treatment of immunoinflammatory disorders Zalicus Inc. (US) 2011-03-30 EP disclosed
US-7834201-B2 Crystalline base of escitalopram and orodispersible tablets comprising escitalopram base H. LUNDBECK A/S (DK) 2010-11-16 US disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 EP disclosed
US-7723533-B2 Crystalline base of escitalopram and orodispersible tablets comprising escitalopram base H. LUNDBECK A/S (DK) 2010-05-25 US disclosed
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS CombinatoRx, (Singapore) Pte. Ltd. 2010-04-01 US disclosed
US-7560576-B2 Crystalline base of escitalopram and orodispersible tablets comprising escitalopram base H. LUNDBECK A/S (DK) 2009-07-14 US disclosed
EP-2070550-A1 Use of combinations comprising a corticosteroid and a pyrimidopyrimidine in the treatment of inflammatory diseases Combinatorx, Incorporated (US) 2009-06-17 EP disclosed
US-6750358-B2 5-BROMO OR 5-CHLORO1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-FLUORO PHENYL)-1,3-DIHYDROISOBENZOFURAN REACTED WITH A CYANIDE SOURCE IN THE PRESENCE OF A NICKEL CATALYST; ANTIDEPRESSANTS H. LUNDBECK A/S (DK) 2004-06-15 US disclosed
WO-2004030618-A2 METHODS AND REAGENTS FOR THE TREATMENT OF DISEASES AND DISORDERS ASSOCIATED WITH INCREASED LEVELS OF PROINFLAMMATORY CYTOKINES COMBINATORX, INCORPORATED (US) 2004-04-15 WO disclosed
WO-2004011450-A1 PROCESS FOR THE PREPARATION OF 1-(3-DIMETHYLAMINOPROPYL) -1-(4-FLUOROPHENYL) -1,3-DIHYDROISOBENZOFURAN -5-CARBONITRILE ORION CORPORATION FERMION (FI) 2004-02-05 WO disclosed
US-6635773-B2 Purification by selective extraction of citalopram or its impurities using organic solvents and water, and the process for preparing citalopram salts ESTEVE QUIMICA, S.A. (ES) 2003-10-21 US disclosed
US-20030144534-A1 Process for preparing citalopram ESTEVE QUIMICA, S.A (ES) 2003-07-31 US disclosed
US-20020061925-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-05-23 US disclosed
EP-1105382-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2002-02-13 EP disclosed
EP-1105382-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. Lundbeck A/S (DK) 2001-06-13 EP disclosed
WO-2000011926-A2 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2000-03-09 WO 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 (4 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-20030144534-A1 Process for preparing citalopram MAOB, MAOA, CMA1 SLC6A4 39/4885SLC6A2 43/4885HTR2C 180/4885
US-20100081713-A1 COMPOSITIONS AND METHODS FOR TREATING VIRAL INFECTIONS IFNG, IL5, HAVCR2 SLC6A4 4506/4885SLC6A2 4415/4885HTR2C 4200/4885
US-20120058979-A1 METHODS AND REAGENTS FOR THE TREATMENT OF IMMUNOINFLAMMATORY DISORDERS IL5, TPMT, TSLP SLC6A4 3269/4885SLC6A2 3188/4885HTR2C 3397/4885
US-20020061925-A1 Method for the preparation of citalopram TPH1, MAOB, CYP2C19 SLC6A4 4/4885SLC6A2 52/4885HTR2C 76/4885

“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.