SCHEMBL4622359

SCHEMBL4622359

NCc1ccc2c(c1)COC2c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.46
KLKB1 P03952 2/20 0.40
MAOB P27338 2/20 0.36
SLC5A2 P31639 1/20 0.35
HTR2C P28335 5/20 0.34
HTR2A P28223 4/20 0.34
HTR2B P41595 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A3 Q01959 3/20 0.34
TAAR1 Q96RJ0 2/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
KDM1A O60341 1/20 0.31

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
SCHEMBL4622856 0.86 SLC5A2 (0.40) LOXL2KLKB1SLC5A2SLC6A4SLC6A2
SCHEMBL4620798 0.86 SLC5A2 (0.35) LOXL2SLC5A2HTR2CHTR2AHTR2B
SCHEMBL13970077 0.83 SLC5A2 (0.38) SLC5A2HTR2CHTR2ASLC6A4SLC6A2
SCHEMBL27508666 0.78 SLC5A2 (0.38) SLC5A2
SCHEMBL1777 0.78 KDM1A (0.35) SLC6A4KDM1A
SCHEMBL6096441 0.78 SLC6A2 (0.49) MAOBSLC6A4SLC6A2SLC6A3
SCHEMBL7163573 0.75 SLC5A2 (0.39) SLC5A2HTR2AHTR2BSLC6A4SLC6A2
SCHEMBL6655779 0.74 NR3C1 (0.33) SLC6A4SLC6A2SLC6A3
SCHEMBL22043585 0.74 FADS1 (0.40) HTR2CHTR2AHTR2BSLC6A4SLC6A2
SCHEMBL1686 0.74 FADS1 (0.40) HTR2CHTR2AHTR2BSLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296970-B1 METHOD FOR THE PREPARATION OF CITALOPRAM LUNDBECK & CO AS H (DK) 2008-03-19 EP disclosed
US-6660873-B2 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2003-12-09 US disclosed
US-20030134895-A1 Method for the preparation of citalopram H. LUNDBECK A/S (DK) 2003-07-17 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 (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-20030134895-A1 Method for the preparation of citalopram MAOB, MAOA, TPH1 LOXL2 1673/4885KLKB1 2409/4885MAOB 1/4885

“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.