SCHEMBL5982045

SCHEMBL5982045

CCCCCCCCCCCCCCOC(=O)CN[C]=O

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.58
FAAH O00519 2/20 0.53
EPHX1 P07099 1/20 0.50
RAD52 P43351 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
DGKA P23743 1/20 0.48
HTR2C P28335 1/20 0.47
ACHE P22303 6/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL1864792 1.00 NAAA (0.58) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL7004130 1.00 NAAA (0.58) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL7672090 0.98 NAAA (0.55) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL872365 0.93 ALDH1A1 (0.48) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL6948951 0.85 ALDH1A1 (0.39) NAAAFAAHNPSR1DGKATSHR
SCHEMBL9693869 0.83 NAAA (0.55) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL11184931 0.81 NAAA (0.67) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL5067226 0.81 NAAA (0.67) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL5497221 0.81 NAAA (0.67) NAAAFAAHEPHX1RAD52NPSR1
SCHEMBL9098367 0.81 NAAA (0.52) NAAAFAAHEPHX1RAD52NPSR1

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-7129256-B2 Antiparkinsonism drugs SHIONOGI & CO., LTD. (JP) 2006-10-31 US disclosed
US-20030191120-A1 Antiparkinsonism drugs SHIONOGI & CO., LTD. (JP) 2003-10-09 US disclosed
EP-1321151-A1 ANTIPARKINSONISM DRUGS SHIONOGI & CO., LTD. (JP) 2003-06-25 EP disclosed
US-6319902-B1 TO ACTIVATE THE CENTRAL NERVOUS SYSTEM, SUCH AS, FOR EXAMPLE, SUSTAINED ACETYLCHOLINE RELEASING ACTION, ANTI-RESERPINE ACTION AND LOCOMOTOR INCREMENT SHIONOGI & CO., LTD. (JP) 2001-11-20 US disclosed
EP-0933379-A1 NOVEL PEPTIDE DERIVATIVES HAVING THIAZOLYL-ALANINE RESIDUE SHIONOGI & CO., LTD. (JP) 1999-08-04 EP 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-20030191120-A1 Antiparkinsonism drugs PARK7, SNCA, NLN NAAA 1167/4885FAAH 1462/4885EPHX1 3179/4885

“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.