SCHEMBL5848345

SCHEMBL5848345

N[C@@H]1[C]c2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.39
IDO1 P14902 2/20 0.37
HTR2A P28223 1/20 0.37
KDM1A O60341 4/20 0.35
ANPEP P15144 3/20 0.35
SIGMAR1 Q99720 2/20 0.32
AADAT Q8N5Z0 1/20 0.32

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
SCHEMBL7472112 1.00 PLAU (0.39) PLAUIDO1HTR2AKDM1AANPEP
SCHEMBL4407901 0.73 ANPEP (0.33) PLAUIDO1ANPEP
SCHEMBL11004524 0.73 ACHE (0.41) IDO1
SCHEMBL4513001 0.73 IDO1 (0.32) PLAUIDO1
SCHEMBL6962983 0.73 ANPEP (0.33) PLAUIDO1ANPEP
SCHEMBL8630503 0.70 PRCP (0.37) HTR2AKDM1ASIGMAR1
SCHEMBL9510934 0.70 ANPEP (0.39) ANPEPSIGMAR1
SCHEMBL6326122 0.70 ACHE (0.34) IDO1
SCHEMBL4518955 0.68 PNMT (0.39)
SCHEMBL275458 0.67 HTR2A (0.45) HTR2AKDM1AANPEPSIGMAR1AADAT

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
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
US-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs ABBVIE INC. 2004-06-24 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-20040122098-A1 3-Amino-2-hydroxyalkanoic acids and their prodrugs HDGF, HCAR2, HCAR3 PLAU 774/4885IDO1 1246/4885HTR2A 682/4885

“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.