SCHEMBL4459186

SCHEMBL4459186

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C(=O)OC)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
OXTR P30559 11/20 0.42
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
AVPR1A P37288 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL4600173 0.93 HCRTR1 (0.51) HCRTR1HCRTR2MEN1KMT2AOXTR
SCHEMBL4470460 0.88 HCRTR2 (0.62) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL4459163 0.87 HCRTR1 (0.47) HCRTR1HCRTR2OXTRLMNA
SCHEMBL4457211 0.86 HCRTR1 (0.50) HCRTR1HCRTR2OXTRLMNAAVPR1A
SCHEMBL4459456 0.85 HCRTR1 (0.49) HCRTR1HCRTR2OXTRLMNAAVPR1A
SCHEMBL4461806 0.83 HCRTR2 (0.61) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL4464707 0.83 KMT2A (0.52) HCRTR1HCRTR2MEN1KMT2AOXTR
SCHEMBL4457691 0.83 OXTR (0.56) HCRTR1HCRTR2MEN1KMT2AOXTR
SCHEMBL4453885 0.82 HCRTR2 (0.46) HCRTR1HCRTR2OXTRLMNAAVPR1A
SCHEMBL4455651 0.82 HCRTR2 (0.57) HCRTR1HCRTR2OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US claimed
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007019234-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-15 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-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPSR1 HCRTR1 2/4885HCRTR2 1/4885MEN1 2128/4885

“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.