SCHEMBL3822016

SCHEMBL3822016

CN(C)CCCC(=O)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
HTR7 P34969 1/20 0.66
L3MBTL1 Q9Y468 3/20 0.55
SLC6A4 P31645 1/20 0.53
TSHR P16473 1/20 0.51
GSR P00390 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.49
THRA P10827 2/20 0.49
THRB P10828 2/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD1 P21728 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49

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
SCHEMBL9670891 0.91 GSR (0.58) NPC1RAB9AHTR7GSRTHRA
SCHEMBL4897835 0.89 NPC1 (0.62) NPC1RAB9AHTR7GSRSMN1; SMN2
Hydrochloric Acid SCHEMBL4384839 0.87 GSR (0.63) NPC1RAB9AHTR7L3MBTL1TSHR
SCHEMBL9148552 0.84 THRA (0.59) NPC1RAB9AHTR7L3MBTL1THRA
SCHEMBL10440428 0.84 NPC1 (0.68) NPC1RAB9AL3MBTL1GSRKDM4E
SCHEMBL6701558 0.83 L3MBTL1 (0.71) NPC1RAB9AHTR7L3MBTL1TSHR
SCHEMBL9680520 0.82 NPC1 (0.91) NPC1RAB9AHTR7L3MBTL1TSHR
SCHEMBL9716696 0.82 NPC1 (0.59) NPC1RAB9AHTR7L3MBTL1SLC6A4
SCHEMBL5954501 0.82 GAA (0.59) NPC1RAB9AL3MBTL1TSHRGSR
SCHEMBL6824194 0.81 KMT2A (0.67) NPC1RAB9AL3MBTL1GSRSMN1; SMN2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173431-B2 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2009-08-26 EP claimed
US-6849749-B2 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2005-02-01 US claimed
EP-1173431-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2003-04-16 EP claimed
US-20020040153-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-04-04 US claimed
CN-111533662-B Synthesis method of citalopram intermediate 福建海西新药创制有限公司 2022-08-23 CN disclosed
CN-111533662-A Synthesis method of citalopram intermediate 福建海西新药创制有限公司 2020-08-14 CN disclosed
CN-101133041-B Piperazino based multi-functional photoinitiators SUN CHEMICAL LTD 2012-06-20 CN disclosed
EP-1173431-B2 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2009-08-26 EP disclosed
CN-101133041-A Piperazino based multi-functional photoinitiators SUN CHEMICAL LTD (GB) 2008-02-27 CN disclosed
US-7030252-B2 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2006-04-18 US disclosed
US-20050124817-A1 Method for the preparation of citalopram PETERSEN HANS (DK) 2005-06-09 US disclosed
US-6849749-B2 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2005-02-01 US disclosed
EP-1173431-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2003-04-16 EP disclosed
US-20020040153-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-04-04 US disclosed
US-5534629-A PHOTOPOLYMERIZATION OF PIGMENTED SYSTEMS, INKS CIBA-GEIGY CORPORATION (US) 1996-07-09 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 (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-20050124817-A1 Method for the preparation of citalopram MAOB, MAOA, TPH1 NPC1 2943/4885RAB9A 3001/4885HTR7 31/4885
US-20020040153-A1 Method for the preparation of citalopram TPH1, MAOB, MAOA NPC1 2469/4885RAB9A 3370/4885HTR7 35/4885

“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.