SCHEMBL4414784

SCHEMBL4414784

C=CC[C@H](CN(C)C(=O)O)c1ccc(F)cc1.C=CC[C@H](CNC)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
AOC3 Q16853 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FFAR1 O14842 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL4416823 1.00 SLC6A2 (0.37) SLC6A2SLC6A4TDP1TP53MAPT
SCHEMBL4259232 0.91 TDP1 (0.42) TDP1MAPTAOC3KDM4EALDH1A1
SCHEMBL4259511 0.91 TDP1 (0.42) TDP1MAPTAOC3KDM4EALDH1A1
SCHEMBL493770 0.83 SLC6A2 (0.35) SLC6A2SLC6A4TDP1KDM4EALDH1A1
SCHEMBL4259328 0.83 SLC6A2 (0.35) SLC6A2SLC6A4TDP1KDM4EALDH1A1
SCHEMBL4262564 0.79 TDP1 (0.43) TDP1MAPTAOC3KDM4EALDH1A1
SCHEMBL4265627 0.79 TDP1 (0.43) TDP1MAPTAOC3KDM4EALDH1A1
Lithium Ion SCHEMBL6002733 0.79 SLC6A2 (0.33) SLC6A2SLC6A4TDP1KDM4EALDH1A1
SCHEMBL4256188 0.73 TACR1 (0.36) TDP1AOC3SMN1; SMN2
SCHEMBL4261669 0.73 TACR1 (0.36) AOC3KMT2A

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-1636221-B1 3-Heterocyclyl-Azetidine compounds useful as NK1/NK2 receptors antagonists ALBIREO AB (SE) 2009-08-12 EP disclosed
US-7402581-B2 Azetidine compounds ALBIREO AB (SE) 2008-07-22 US disclosed
US-20060172988-A1 Azetidine compounds ALBIREO AB (SE) 2006-08-03 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-20060172988-A1 Azetidine compounds HRH2, HRH4, HRH1 SLC6A2 334/4885SLC6A4 154/4885TDP1 4143/4885

“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.