Sugi Predict

Sugi Predict / Compounds / SCHEMBL907577

SCHEMBL907577

SCHEMBL907577

CN(C)CCC[C@@](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
SCHEMBL679 1.00 BCL2 (0.42) BCL2SLC6A4SLC6A2HTR2CADRA1A
SCHEMBL29414628 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 68 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
US-20100249438-A1 PREPARATION OF ESCITALOPRAM DR. REDDY'S LABORATORIES LIMITED (IN) 2010-09-30 — — US claimed
JP-4377219-B2 — — 2009-12-02 — — JP claimed
EP-1732514-A1 CRYSTALLINE COMPOSITION CONTAINING ESCITALOPRAM OXALATE H. LUNDBECK A/S (DK) 2006-12-20 — — EP claimed
US-7112686-B2 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) 2006-09-26 — — US claimed
WO-2005084643-A1 CRYSTALLINE COMPOSITION CONTAINING ESCITALOPRAM OXALATE H. LUNDBECK A/S (DK) 2005-09-15 — — WO 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
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
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 disclosed
CN-101460448-B Carbonyl asymmetric alkylation SANDOZ AG 2013-05-15 — — CN disclosed
US-8288569-B2 Carbonyl asymmetric alkylation SANDOZ AG (CH) 2012-10-16 — — US disclosed
EP-1581483-B1 A PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM DIOL AND/OR i S- /i OR i R- /i CITALOPRAM DIOLS AND THE USE OF SUCH DIOLS FOR THE PREPARATION OF RACEMIC CITALOPRAM, i R- /i CITALOPRAM AND/OR i S- /i CITALOPRAM LUNDBECK & CO AS H (DK) 2012-06-06 — — EP disclosed
WO-2012010174-A1 PROCESS FOR THE PURIFICATION OF PHARMACEUTICALLY ACCEPTABLE SALTS H. LUNDBECK A/S (DK) 2012-01-26 — — WO disclosed
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 disclosed
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 disclosed
WO-2004056754-A1 A PROCESS FOR THE PREPARATION OF RACEMIC CITALOPRAM DIOL AND/OR S- OR R- CITALOPRAM DIOLS AND THE USE OF SUCH DIOLS FOR THE PREPARATION OF RACEMIC CITALOPRAM, R-CITALOPRAM AND/OR S-CITALOPRAM H. LUNDBECK A/S (DK) 2004-07-08 — — WO disclosed
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 disclosed
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 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 (1 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-20100249438-A1 PREPARATION OF ESCITALOPRAM SLC6A4, HTR4, TPH1 BCL2 4722/4885SLC6A4 1/4885SLC6A2 14/4885

“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.