Sugi Predict

Sugi Predict / Compounds / SCHEMBL1777

SCHEMBL1777

SCHEMBL1777

Fc1ccc(C2OCc3cc(Br)ccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.35
▸ KDM1B Q8NB78 1/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR7 P34969 2/20 0.33
▸ GABRP O00591 1/20 0.33
▸ GABRD O14764 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRB1 P18505 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRB2 P47870 1/20 0.33
▸ GABRA4 P48169 1/20 0.33
▸ GABRE P78334 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33

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
SCHEMBL6096441 0.81 SLC6A2 (0.49) SLC6A4HTR7
SCHEMBL4620798 0.81 SLC5A2 (0.35) SLC6A4
SCHEMBL12290945 0.81 SLC5A2 (0.47) KDM1ASLC6A4KMT2A
SCHEMBL4622359 0.78 LOXL2 (0.46) KDM1ASLC6A4
SCHEMBL22043585 0.78 FADS1 (0.40) SLC6A4HTR7
SCHEMBL5936386 0.78 MEN1 (0.38) KMT2A
SCHEMBL14199799 0.78 FADS1 (0.40) SLC6A4HTR7
SCHEMBL4622856 0.78 SLC5A2 (0.40) SLC6A4
SCHEMBL1686 0.78 FADS1 (0.40) SLC6A4HTR7
SCHEMBL6655779 0.78 NR3C1 (0.33) 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102190641-A Method for preparing citalopram and key intermediate of escitalopram SICHUAN KELUN PHARM RES CO LTD 2011-09-21 — — CN disclosed
EP-1169314-B2 PROCESS FOR THE MANUFACTURE OF SALTS OF CITALOPRAM LUNDBECK & CO AS H (DK) 2011-06-01 — — EP disclosed
US-20080119662-A1 One Spot Synthesis of Citalopram from 5-Cyanophthalide JUBILANT ORGANOSYS LIMTED (IN) 2008-05-22 — — US disclosed
US-20080119662-A1 One Spot Synthesis of Citalopram from 5-Cyanophthalide JUBILANT ORGANOSYS LIMTED (IN) 2008-05-22 — — US disclosed
EP-1366034-B1 PREPARATION OF PHTHALANES CIPLA LTD (IN) 2007-07-25 — — EP disclosed
US-20060247451-A1 CRYSTALLINE BASE OF CITALOPRAM H. LUNDBECK A/S (DK) 2006-11-02 — — US disclosed
US-20060229459-A1 CRYSTALLINE BASE OF CITALOPRAM H. LUNDBECK A/S (DK) 2006-10-12 — — US disclosed
US-20060116522-A1 Process for the preparation of 5-substituted-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans JUBILANT ORGANOSYS, LTD. (IN) 2006-06-01 — — US disclosed
US-20050165092-A1 Crystalline base of citalopram H. LUNDBECK A/S (DK) 2005-07-28 — — US disclosed
WO-2005066185-A1 PROCESS FOR PREPARING 5-SUBSTITUTED -1-(4-FLUOROPHENYL) -1,3-DIHYDROISOBENZOFURANS JUBILANT ORGANOSYS LIMITED (IN) 2005-07-21 — — WO disclosed
WO-2002070501-A1 PREPARATION OF PHTHALANES CIPLA LTD. (IN) 2002-09-12 — — WO disclosed
EP-1169314-B1 CRYSTALLINE BASE OF CITALOPRAM LUNDBECK & CO AS H (DK) 2002-09-04 — — EP disclosed
WO-2002066453-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM NATCO PHARMA LIMITED (IN) 2002-08-29 — — WO disclosed
EP-1227088-A1 Crystalline base of citalopram and hydrochoride or hydrobromide salt thereof H.Lundbeck A/S (DK) 2002-07-31 — — EP disclosed
EP-1169314-A1 CRYSTALLINE BASE OF CITALOPRAM H. Lundbeck A/S (DK) 2002-01-09 — — EP disclosed
US-20010031784-A1 Crystalline base of citalopram PETERSEN HANS (DK) 2001-10-18 — — US disclosed
WO-2001068627-A1 CRYSTALLINE BASE OF CITALOPRAM H. LUNDBECK A/S (DK) 2001-09-20 — — WO disclosed
EP-0171943-B1 NOVEL INTERMEDIATE AND METHOD FOR ITS PREPARATION H. LUNDBECK A/S (DK) 1988-11-17 — — EP disclosed
US-4650884-A 4-[4-(dimethylamino)-1-(4'-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)-benzonitrile (racemic citalopram diol) as intermediate to citalopram H. LUNDBECK A/S (DK) 1987-03-17 — — US 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 (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-20080119662-A1 One Spot Synthesis of Citalopram from 5-Cyanophthalide GRHPR, HTR3C, FKBP5 KDM1A 945/4885KDM1B 1477/4885SIRT2 1579/4885
US-20010031784-A1 Crystalline base of citalopram HTR1F, HTR1A, HTR1B KDM1A 1342/4885KDM1B 1942/4885SIRT2 949/4885
US-20060229459-A1 CRYSTALLINE BASE OF CITALOPRAM HTR2B, TPH1, MAOB KDM1A 1259/4885KDM1B 1158/4885SIRT2 267/4885
US-20060247451-A1 CRYSTALLINE BASE OF CITALOPRAM HTR2B, TPH1, MAOB KDM1A 1259/4885KDM1B 1158/4885SIRT2 267/4885
US-20050165092-A1 Crystalline base of citalopram HTR2B, TPH1, MAOB KDM1A 1259/4885KDM1B 1158/4885SIRT2 267/4885
US-20060116522-A1 Process for the preparation of 5-substituted-1-(4-fluorophenyl)-1,3-dihydroisobenzofurans CYP4F2, CYP2F1, CYP4F3 KDM1A 1648/4885KDM1B 1278/4885SIRT2 672/4885

“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.