SCHEMBL4460241

SCHEMBL4460241

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)Cc1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.49
HCRTR2 O43614 3/20 0.49
OXTR P30559 10/20 0.46
TAS2R14 Q9NYV8 1/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
S1PR1 P21453 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AVPR1A P37288 1/20 0.39
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38

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
SCHEMBL4470460 0.83 HCRTR2 (0.62) HCRTR1HCRTR2OXTRAVPR1A
SCHEMBL4457691 0.83 OXTR (0.56) HCRTR1HCRTR2OXTRLMNAALDH1A1
SCHEMBL4457194 0.82 HCRTR2 (0.47) HCRTR1HCRTR2OXTRTAS2R14LMNA
SCHEMBL4600173 0.82 HCRTR1 (0.51) HCRTR1HCRTR2OXTRTAS2R14LMNA
SCHEMBL4455637 0.81 OXTR (0.54) HCRTR1HCRTR2OXTRLMNAALDH1A1
SCHEMBL4457211 0.81 HCRTR1 (0.50) HCRTR1HCRTR2OXTRLMNAAVPR1A
SCHEMBL4459186 0.81 HCRTR1 (0.49) HCRTR1HCRTR2OXTRTAS2R14LMNA
SCHEMBL4453885 0.81 HCRTR2 (0.46) HCRTR1HCRTR2OXTRTAS2R14LMNA
SCHEMBL4452202 0.81 OXTR (0.48) HCRTR1HCRTR2OXTRLMNAMEN1
SCHEMBL4457111 0.81 OXTR (0.56) HCRTR1HCRTR2OXTRLMNAALDH1A1

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 HCRTR1 2/4885HCRTR2 1/4885OXTR 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.