SCHEMBL5565838

SCHEMBL5565838

NC(C(=O)O)C(CCF)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
MEN1 O00255 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC1A2 P43004 4/20 0.44
SLC1A3 P43003 3/20 0.44
SLC1A1 P43005 3/20 0.44
CYP1A2 P05177 1/20 0.44
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GRM2 Q14416 2/20 0.41
GRM3 Q14832 2/20 0.41
SRC P12931 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
DPP4 P27487 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7653146 0.87 HRH1 (0.50) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL14842376 0.83 SLC6A2 (0.55) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5291382 0.83 SLC6A2 (0.55) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL22190041 0.83 SLC6A2 (0.55) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5320862 0.82 CYP2D6 (0.46) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5283024 0.81 SLC1A3 (0.50) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL5289685 0.79 POLB (0.48) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL6533633 0.78 CSNK1E (0.44) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL17476729 0.78 RIPK1 (0.53) CYP2D6MEN1CYP2C9CYP2C19KMT2A
SCHEMBL22338831 0.78 CYP2D6 (0.49) CYP2D6MEN1CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP claimed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 WO claimed
US-20070081941-A1 F-18 Labeled Amino Acid Analogs MALLINCKRODT INC. (US) 2007-04-12 US disclosed
US-7189383-B2 Radioactively labelled amino acid analogues, their preparation and use MALLINCKRODT INC. 2007-03-13 US disclosed
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use VRIJE UNIVERSITEIT BRUSSEL (BE) 2006-06-15 US disclosed
EP-1539250-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE Mallinckrodt Inc. (US) 2005-06-15 EP disclosed
WO-2004110500-A1 RADIOACTIVELY LABELLED AMINO ACID ANALOGUES, THEIR PREPARATION AND USE MALLINCKRODT INC. (US) 2004-12-23 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-20070081941-A1 F-18 Labeled Amino Acid Analogs BCAT1, BCAT2, SLC1A5 CYP2D6 214/4885MEN1 484/4885CYP2C9 435/4885
US-20060127306-A1 Radioactively labelled amino acid analogues, their preparation and use BCAT1, BCAT2, SLC1A5 CYP2D6 50/4885MEN1 241/4885CYP2C9 166/4885

“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.