SCHEMBL4452202

SCHEMBL4452202

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1ccc2ccccc2c1)C(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OXTR P30559 11/20 0.48
HCRTR1 O43613 2/20 0.44
HCRTR2 O43614 2/20 0.44
LMNA P02545 2/20 0.43
AVPR2 P30518 4/20 0.43
AVPR1A P37288 4/20 0.43
HTR6 P50406 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4457691 0.90 OXTR (0.56) OXTRHCRTR1HCRTR2LMNAAVPR2
SCHEMBL4457194 0.87 HCRTR2 (0.47) OXTRHCRTR1HCRTR2LMNAAVPR2
SCHEMBL4453885 0.86 HCRTR2 (0.46) OXTRHCRTR1HCRTR2LMNAAVPR2
SCHEMBL4457211 0.85 HCRTR1 (0.50) OXTRHCRTR1HCRTR2LMNAAVPR1A
SCHEMBL4465547 0.83 HCRTR2 (0.55) OXTRHCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL1037476 0.83 HCRTR2 (0.61) OXTRHCRTR1HCRTR2LMNAAVPR2
SCHEMBL4470460 0.83 HCRTR2 (0.62) OXTRHCRTR1HCRTR2AVPR2AVPR1A
SCHEMBL4600173 0.82 HCRTR1 (0.51) OXTRHCRTR1HCRTR2LMNAAVPR1A
SCHEMBL4455637 0.81 OXTR (0.54) OXTRHCRTR1HCRTR2LMNAMEN1
SCHEMBL4455961 0.81 HCRTR1 (0.45) OXTRHCRTR1HCRTR2LMNAAVPR2

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 7 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
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 OXTR 5/4885HCRTR1 2/4885HCRTR2 1/4885

“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.