SCHEMBL2809825

SCHEMBL2809825

N#Cc1ccc2c(c1)COC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.48
DRD3 P35462 6/20 0.48
DRD2 P14416 4/20 0.48
IKBKB O14920 1/20 0.42
KDM1A O60341 2/20 0.39
CYP2A6 P11509 1/20 0.38
TRPA1 O75762 1/20 0.37
PDE4B Q07343 1/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A2 P23975 2/20 0.35
HTR2C P28335 2/20 0.35
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
OPRM1 P35372 2/20 0.35
HTR2B P41595 2/20 0.35
KCNH2 Q12809 2/20 0.35
NPC1 O15118 1/20 0.35
SLC22A1 O15245 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL31545183 1.00 PNMT (0.48) PNMTDRD3DRD2IKBKBKDM1A
SCHEMBL28195536 0.84 DRD2 (0.51) PNMTDRD3DRD2IKBKBKDM1A
SCHEMBL29618357 0.76 PNMT (0.60) PNMTDRD3DRD2KDM1AALDH1A1
SCHEMBL8222195 0.76 PNMT (0.60) PNMTDRD3DRD2KDM1AALDH1A1
SCHEMBL29274045 0.75 PNMT (0.42) PNMTDRD3DRD2KDM1ACYP2A6
SCHEMBL6739755 0.75
Hydrochloric Acid SCHEMBL30894888 0.74 PNMT (0.58) PNMTDRD3DRD2KDM1AALDH1A1
Bromide SCHEMBL17202846 0.73 PNMT (0.52) PNMTDRD3DRD2KDM1ACYP2A6
SCHEMBL30950987 0.73 PNMT (0.52) PNMTDRD3DRD2KDM1ATRPA1
SCHEMBL6014131 0.73 PNMT (0.52) PNMTDRD3DRD2KDM1ATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119662-A1 One Spot Synthesis of Citalopram from 5-Cyanophthalide JUBILANT ORGANOSYS LIMTED (IN) 2008-05-22 US claimed
EP-1723133-A1 ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE Jubilant Organosys Limited (IN) 2006-11-22 EP claimed
EP-1601662-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN Adorkem Technology SpA (IT) 2005-12-07 EP claimed
WO-2005077927-A1 ONE POT SYNTHESIS OF CITALOPRAM FROM 5-CYANOPHTHALIDE JUBILANT ORGANOSYS LIMITED (IN) 2005-08-25 WO claimed
WO-2005070914-A1 A METHOD FOR THE PREPARATION OF CITALOPRAM ACID ADDITION SALTS JUBILANT ORGANOSYS LIMITED (IN) 2005-08-04 WO claimed
EP-1095926-B1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO LTD (JP) 2004-10-06 EP claimed
WO-2004080988-A1 PROCESS FOR THE PREPARATION OF A CYANO-ISOBENZOFURAN ADORKEM TECHNOLOGY SPA (IT) 2004-09-23 WO claimed
US-20040044232-A1 Production methods of citalopram and intermediates therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-03-04 US claimed
EP-1346989-A1 Improved process for the preparation of citalopram and its hydrobromide Jubilant Organosys Limited (IN) 2003-09-24 EP claimed
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-10-17 US claimed
US-6433195-B1 4-HALO-M-XYLYLENE GLYCOLS, ESTERS, ETHERS, AND TRIALKYLSILYL DERIVATEVES AS NOVEL INTERMEDIATES FOR CITALOPRAM PRODUCTION SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-08-13 US claimed
US-20020045770-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-04-18 US claimed
US-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-27 US claimed
EP-1095926-A2 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMIKA FINE CHEMICALS Co., Ltd. (JP) 2001-05-02 EP claimed
WO-2019032147-A1 TRANSDERMAL DRUG DELIVERY SYSTEM AVRO LIFE SCIENCES, INC. (CA) 2019-02-14 WO disclosed
CN-106632182-A Preparation method of escitalopram oxalate demethylation impurity 万全万特制药(厦门)有限公司 2017-05-10 CN disclosed
CN-104829571-A Escitalopram oxalate related substance and preparation method thereof LIANYUNGANG HENGYUN MEDICAL TECHNOLOGY CO LTD 2015-08-12 CN disclosed
CN-1286688-A Process for the preparation of citalopram LUNDHECK AS H (DK) 2001-03-07 CN disclosed
WO-1996031172-A1 VETERINARY METHOD FOR CLINICALLY MODIFYING THE BEHAVIOR OF DOGS EXHIBITING CANINE AFFECTIVE AGGRESSION TRUSTEES OF TUFTS COLLEGE (US) 1996-10-10 WO disclosed
US-5554383-A ADMINISTERING SELECTIVE SEROTONIN REUPTAKE INHIBITOR TRUSTEES OF TUFTS COLLEGE (US) 1996-09-10 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-20080119662-A1 One Spot Synthesis of Citalopram from 5-Cyanophthalide GRHPR, HTR3C, FKBP5 PNMT 29/4885DRD3 936/4885DRD2 1284/4885
US-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SLC39A11, CYP4F11, SLC39A14 PNMT 2986/4885DRD3 4575/4885DRD2 3952/4885
US-20020045770-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SLC39A11, CYP4F11, SLC39A14 PNMT 2986/4885DRD3 4575/4885DRD2 3952/4885
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SLC39A11, CYP4F11, SLC39A14 PNMT 3134/4885DRD3 4684/4885DRD2 4200/4885
US-20040044232-A1 Production methods of citalopram and intermediates therefor PPIF, SLC39A11, CYP4F11 PNMT 554/4885DRD3 1751/4885DRD2 1056/4885

“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.