Sugi Predict

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SCHEMBL679

SCHEMBL679

CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 3/20 0.42
▸ SLC6A4 P31645 7/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ HRH1 P35367 2/20 0.39
▸ OPRM1 P35372 2/20 0.39
▸ DRD3 P35462 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SLC22A1 O15245 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ ADRA1D P25100 1/20 0.39

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
SCHEMBL29414619 1.00 BCL2 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
SCHEMBL907571 1.00 BCL2 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
SCHEMBL29414628 1.00 BCL2 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
SCHEMBL907577 1.00 BCL2 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
Hydrochloric Acid SCHEMBL26647634 0.99 BCL2 (0.41) BCL2SLC6A4SLC6A2HTR2CADRA1A
Bromide SCHEMBL29705204 0.99 BCL2 (0.41) BCL2SLC6A4SLC6A2HTR2CADRA1A
Bromide SCHEMBL3623042 0.99 BCL2 (0.41) BCL2SLC6A4SLC6A2HTR2CADRA1A
Acetic Acid SCHEMBL27702815 0.95 SLC6A4 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
Oxalic Acid SCHEMBL21808124 0.95 SLC6A4 (0.44) BCL2SLC6A4SLC6A2HTR2CADRA1A
Sulfuric Acid SCHEMBL26647671 0.95 BCL2 (0.39) BCL2SLC6A4SLC6A2HTR2CADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113105419-B Method for preparing S-citalopram from R-diol 山东新华制药股份有限公司 2022-07-22 — — CN claimed
WO-2022151968-A1 METHOD FOR PURIFYING KEY INTERMEDIATES OF CITALOPRAM 浙江华海药业股份有限公司 2022-07-21 — — WO claimed
CN-114763329-A Method for purifying citalopram key intermediate 浙江华海药业股份有限公司 2022-07-19 — — CN claimed
CN-109988083-B Preparation method of high-optical-purity escitalopram oxalate intermediate S-configuration diol 北京哈三联科技有限责任公司 2022-04-15 — — CN claimed
CN-107074750-B Method for splitting citalopram intermediate 5-cyanodiol 浙江华海药业股份有限公司 2022-03-25 — — CN claimed
EP-3219702-B1 METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANOGEN DIOL ZHEJIANG HUAHAI PHARMACEUTICALS CO LTD (CN) 2021-05-05 — — EP claimed
WO-2020060011-A1 NOVEL PREPARATION METHOD FOR CITALOPRAM AND ESCITALOPRAM USING CARBONATES (주)유케이케미팜 2020-03-26 — — WO claimed
US-10287240-B2 Method for resolution of citalopram intermediate 5-cyano diol Zhejiang Hushai Pharmaceuticals Co., Ltd. (CN) 2019-05-14 — — US claimed
EP-3219702-A1 METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANOGEN DIOL Zhejiang Huahai Pharmaceutical Co., Ltd. (CN) 2017-09-20 — — EP claimed
US-20170240505-A1 METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANO DIOL ZHEJIANG HUAHAI PHARMACEUTICALS CO., LTD. (CN) 2017-08-24 — — US claimed
EP-1412341-B1 PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM AND/OR S- OR R-CITALOPRAM BY SEPARATION OF A MIXTURE OF R- AND S-CITALOPRAM LUNDBECK & CO AS H (DK) 2004-12-08 — — EP claimed
JP-2004536093-A — — 2004-12-02 — — JP claimed
CN-1520405-A Process for the preparation of racemic citalopram and/or S-or R-citalopram by separation of a mixture of R-and S-citalopram H��¡�±������޹�˾ 2004-08-11 — — CN claimed
EP-1412341-A1 PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM AND/OR S- OR R-CITALOPRAM BY SEPARATION OF A MIXTURE OF R- AND S-CITALOPRAM H. Lundbeck A/S (DK) 2004-04-28 — — EP claimed
WO-2003000672-A1 PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM AND/OR S- OR R-CITALOPRAM BY SEPARATION OF A MIXTURE OF R- AND S-CITALOPRAM H. LUNDBECK A/S (DK) 2003-01-03 — — WO claimed
EP-0347066-B1 New enantiomers and their isolation LUNDBECK & CO AS H (DK) 1995-03-15 — — EP claimed
US-RE34712-E Pharmaceutically useful (+)-1-(3-dimethylaminopropyl)-1-(4'-fluorophenyl)-1,3-dihydroiso benzofuran-5-carbonitrile and non-toxic acid addition salts thereof H. LUNDBECK A/S (DK) 1994-08-30 — — US claimed
EP-0171943-B1 NOVEL INTERMEDIATE AND METHOD FOR ITS PREPARATION H. LUNDBECK A/S (DK) 1988-11-17 — — EP claimed
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 claimed
EP-0171943-A1 Novel intermediate and method for its preparation H. LUNDBECK A/S (DK) 1986-02-19 — — EP 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 (2 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-10287240-B2 Method for resolution of citalopram intermediate 5-cyano diol TPH1, HTR4, HTR1A BCL2 3672/4885SLC6A4 5/4885SLC6A2 54/4885
US-20170240505-A1 METHOD FOR RESOLUTION OF CITALOPRAM INTERMEDIATE 5-CYANO DIOL TPH1, HTR4, HTR1A BCL2 3672/4885SLC6A4 5/4885SLC6A2 54/4885

“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.