SCHEMBL4169876

SCHEMBL4169876

CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(I)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.76
SLC6A2 P23975 2/20 0.72
HTR2C P28335 2/20 0.72
ADRA1A P35348 2/20 0.72
HRH1 P35367 2/20 0.72
OPRM1 P35372 2/20 0.72
DRD3 P35462 2/20 0.72
HTR2B P41595 2/20 0.72
KCNH2 Q12809 2/20 0.72
NPC1 O15118 1/20 0.72
SLC22A1 O15245 1/20 0.72
ALDH1A1 P00352 1/20 0.72
CHRM2 P08172 1/20 0.72
HTR1A P08908 1/20 0.72
CHRM1 P11229 1/20 0.72
DRD1 P21728 1/20 0.72
ACHE P22303 1/20 0.72
HRH2 P25021 1/20 0.72
ADRA1D P25100 1/20 0.72
HTR2A P28223 1/20 0.72

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
SCHEMBL141623 0.91 SLC6A4 (0.83) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL12780358 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2615213 0.87 SLC6A4 (0.78) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2857332 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2868968 0.86 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL4169521 0.86 SLC6A4 (0.76) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL2865623 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL13234952 0.86 SLC6A4 (0.84) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL142583 0.86 SLC6A4 (1.00) SLC6A4SLC6A2HTR2CADRA1AHRH1
SCHEMBL6923491 0.86 SLC6A4 (0.84) SLC6A4SLC6A2HTR2CADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088469-A1 METHOD FOR THE PREPARATION OF CITALOPRAM H. LUNDBECK A/S (DK) 2009-04-02 US disclosed
WO-2006103550-A1 PROCESSES FOR THE PREPARATION OF CITALOPRAM AND ITS INTERMEDIATE 5-AMINOPHTHALIDE RANBAXY LABORATORIES LIMITED (US) 2006-10-05 WO disclosed
US-20050085534-A1 Process for the preparation of citalopram RANBAXY LABORATORIES (IN) 2005-04-21 US disclosed
EP-1370545-A4 PROCESS FOR THE PREPARATION OF CITALOPRAM RANBAXY LAB LTD (IN) 2005-03-16 EP disclosed
EP-1370545-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM Ranbaxy Laboratories, Limited (IN) 2003-12-17 EP disclosed
EP-1159274-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2003-03-26 EP disclosed
WO-2002072565-A1 PROCESS FOR THE PREPARATION OF CITALOPRAM RANBAXY LABORATORIES LIMITED (IN) 2002-09-19 WO disclosed
US-20020077353-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2002-06-20 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 (3 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-20090088469-A1 METHOD FOR THE PREPARATION OF CITALOPRAM MAOB, TPH2, MAOA SLC6A4 23/4885SLC6A2 29/4885HTR2C 63/4885
US-20050085534-A1 Process for the preparation of citalopram SLC6A4, SLC6A2, MAOA SLC6A4 1/4885SLC6A2 2/4885HTR2C 170/4885
US-20020077353-A1 Method for the preparation of citalopram MAOB, MAOA, CYP4F3 SLC6A4 43/4885SLC6A2 34/4885HTR2C 71/4885

“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.