SCHEMBL5848438

SCHEMBL5848438

[CH2][C@H](NC)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A4 P31645 1/20 0.47
CYP2A6 P11509 1/20 0.40
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
AOC3 Q16853 1/20 0.39
PLK1 P53350 1/20 0.39

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
SCHEMBL5848465 1.00 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL24016992 0.79 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL3255966 0.78 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1252229 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL31085545 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL178500 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1253481 0.78 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL264358 0.77 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL9066103 0.73 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4
SCHEMBL1487679 0.73 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 US claimed
US-7030262-B2 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBOTT LABORATORIES (US) 2006-04-18 US disclosed
EP-1546087-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS Abbott Laboratories (US) 2005-06-29 EP disclosed
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 US disclosed
WO-2004013085-A1 3-AMINO-2-HRYDROXYALKANOIC ACIDS AND THEIR PRODRUGS ABBOTT LABORATORIES (US) 2004-02-12 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-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs HDGF, HCAR2, HCAR3 ALDH1A1 27/4885CYP1A2 990/4885CYP2C9 1888/4885

“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.