SCHEMBL1361477

SCHEMBL1361477

CN(C)CCC[C@](O)(c1ccc(F)cc1)c1ccc(C#N)cc1COC(=O)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.37
BCL2 P10415 8/20 0.36
SLC6A2 P23975 2/20 0.34
HTR2C P28335 2/20 0.34
ADRA1A P35348 2/20 0.34
HRH1 P35367 2/20 0.34
OPRM1 P35372 2/20 0.34
DRD3 P35462 2/20 0.34
HTR2B P41595 2/20 0.34
KCNH2 Q12809 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
SLC22A1 O15245 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34

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
SCHEMBL13987721 0.91 SLC6A4 (0.40) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL4478902 0.90 SLC6A4 (0.37) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL1363412 0.88 SLC6A4 (0.36) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL1363413 0.88 SLC6A4 (0.36) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL5430929 0.87 SLC6A4 (0.37) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL1360618 0.87 BCL2 (0.41) SLC6A4MAPK1LMNABCL2SMN1; SMN2
Pivalate SCHEMBL27604130 0.85 SLC6A4 (0.40) SLC6A4MAPK1LMNABCL2SLC6A2
Pivalate SCHEMBL6237077 0.85 SLC6A4 (0.40) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL1363451 0.85 BCL2 (0.36) SLC6A4MAPK1LMNABCL2SLC6A2
SCHEMBL1363409 0.85 SLC6A4 (0.36) SLC6A4MAPK1LMNABCL2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067640-B2 Method for the separation of intermediates which may be used for the preparation of escitalopram H. LUNDBECK A/S (DK) 2011-11-29 US disclosed
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-20110065937-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM H. LUNDBECK A/S (DK) 2011-03-17 US 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 (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-20110065937-A1 METHOD FOR THE SEPARATION OF INTERMEDIATES WHICH MAY BE USED FOR THE PREPARATION OF ESCITALOPRAM MAOB, HSD17B14, MAOA SLC6A4 39/4885MAPK1 3648/4885LMNA 2746/4885
US-20070129561-A1 Method for the separation of intermediates which may be used for the preparation of escitalopram MAOB, HSD17B14, MAOA SLC6A4 39/4885MAPK1 3648/4885LMNA 2746/4885

“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.