SCHEMBL2344570

SCHEMBL2344570

CCC(C(=O)OCc1ccccc1)[C@](CCCO)(c1ccc(F)cc1)N(C)C.N#Cc1cccc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
MRGPRX4 Q96LA9 4/20 0.37
PPARA Q07869 2/20 0.37
NR4A2 P43354 2/20 0.37
KMT2A Q03164 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LRRK2 Q5S007 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
CCR5 P51681 1/20 0.34
MAOB P27338 1/20 0.34
NR4A1 P22736 1/20 0.33
NR4A3 Q92570 1/20 0.33
VNN1 O95497 1/20 0.33

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
SCHEMBL2342066 0.91 MAOB (0.39) MRGPRX4LRRK2MAOB
SCHEMBL6330377 0.64 TDP1 (0.63) KMT2AMAPTTDP1VNN1
SCHEMBL18668838 0.63 TDP1 (0.53) KMT2ATDP1
SCHEMBL4030533 0.62 GSK3B (0.54) MRGPRX4NR4A2MAPTVNN1
SCHEMBL29441888 0.61 GSK3B (0.62) MRGPRX4
SCHEMBL60691 0.61 GSK3B (0.62) MRGPRX4
SCHEMBL7566253 0.61 FFAR1 (0.46) MRGPRX4KMT2AMAOBCTSLCTSS
SCHEMBL29248543 0.61 FFAR1 (0.50) MRGPRX4PPARAMAOB
Hydrochloric Acid SCHEMBL2031438 0.60 GSK3B (0.61) MRGPRX4
SCHEMBL11706688 0.60 GSK3B (0.61) MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360150-A1 Method for the separation of intermediates which may be used for the preparation of escitalopram H. Lundbeck A/S (DK) 2011-08-24 EP disclosed
US-20070129561-A1 Method for the separation of intermediates which may be used for the preparation of escitalopram H. LUNDBECK A/S (DK) 2007-06-07 US disclosed
EP-1534654-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2005-06-01 EP disclosed
WO-2004014821-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2004-02-19 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-20070129561-A1 Method for the separation of intermediates which may be used for the preparation of escitalopram MAOB, HSD17B14, MAOA PTGER1 1505/4885MRGPRX4 4634/4885PPARA 3555/4885

“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.