SCHEMBL6539472

SCHEMBL6539472

CCN(CC)C(=O)c1nc(-c2ccc(OC)nc2)c(-c2ccc(OCCNC(N)=O)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.38
OXTR P30559 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARD Q03181 1/20 0.38
RCE1 Q9Y256 1/20 0.37
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CASR P41180 3/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CG P48736 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3B P49841 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CNR1 P21554 1/20 0.34
BRAF P15056 1/20 0.33
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33

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
SCHEMBL6232652 0.88 TAAR1 (0.41) HRH3OXTRTAAR1PPARDRCE1
Hydrochloric Acid SCHEMBL6540242 0.88 OXTR (0.40) HRH3OXTRTAAR1PPARDRCE1
SCHEMBL6539461 0.87 HRH3 (0.38) HRH3OXTRTAAR1PPARDRCE1
SCHEMBL6538954 0.84 PPARD (0.38) TAAR1PPARDRCE1MKNK1MKNK2
SCHEMBL6272841 0.83 PPARD (0.43) TAAR1PPARDRCE1MKNK1MKNK2
SCHEMBL6539344 0.82 HPGD (0.42) HRH3TAAR1PPARDRCE1PIK3CA
SCHEMBL6539662 0.82 PPARD (0.41) OXTRTAAR1PPARDRCE1MKNK1
SCHEMBL6538991 0.82 PPARD (0.39) TAAR1PPARDRCE1MKNK1MKNK2
SCHEMBL6275255 0.82 LMNA (0.41) TAAR1PPARDRCE1MKNK1MKNK2
SCHEMBL6539865 0.82 PPARD (0.36) TAAR1PPARDRCE1MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 HRH3 940/4885OXTR 1799/4885TAAR1 1264/4885

“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.