SCHEMBL4455615

SCHEMBL4455615

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccc2ccccc12)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.47
HCRTR1 O43613 3/20 0.47
OXTR P30559 10/20 0.41
AVPR1A P37288 2/20 0.37
AVPR2 P30518 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4457211 0.93 HCRTR1 (0.50) HCRTR2HCRTR1OXTRAVPR1AKEAP1
SCHEMBL4460246 0.92 HCRTR2 (0.50) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4461784 0.92 HCRTR2 (0.45) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4453359 0.91 HCRTR2 (0.44) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4470059 0.90 HCRTR2 (0.59) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4455659 0.89 HCRTR2 (0.44) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4455961 0.87 HCRTR1 (0.45) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4464726 0.87 HCRTR1 (0.45) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4458276 0.83 HCRTR2 (0.53) HCRTR2HCRTR1OXTRKEAP1NFE2L2
SCHEMBL4461806 0.82 HCRTR2 (0.61) HCRTR2HCRTR1OXTRAVPR1AAVPR2

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 6 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
EP-1912655-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-04-23 EP claimed
WO-2007019234-A2 AMINOETHANE SULFONAMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-02-15 WO 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
US-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-10-15 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-20090258903-A1 Aminoethane Sulfonamide Orexin Receptor Antagonists HCRTR2, HCRTR1, NPSR1 HCRTR2 1/4885HCRTR1 2/4885OXTR 5/4885

“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.