SCHEMBL4455961

SCHEMBL4455961

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1cccc2ccccc12)C(=O)c1cccc(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 3/20 0.45
OXTR P30559 11/20 0.42
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 1/20 0.38
AVPR2 P30518 4/20 0.37
AVPR1A P37288 4/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 0.92 HCRTR1 (0.50) HCRTR1HCRTR2OXTRLMNAAVPR1A
SCHEMBL4461784 0.91 HCRTR2 (0.45) HCRTR1HCRTR2OXTRLMNAALDH1A1
SCHEMBL4464726 0.91 HCRTR1 (0.45) HCRTR1HCRTR2OXTRLMNAAVPR2
SCHEMBL4457709 0.90 HCRTR2 (0.56) HCRTR1HCRTR2OXTRLMNAALDH1A1
SCHEMBL4455659 0.89 HCRTR2 (0.44) HCRTR1HCRTR2OXTRLMNAHTT
SCHEMBL4453359 0.89 HCRTR2 (0.44) HCRTR1HCRTR2OXTRLMNAALDH1A1
SCHEMBL4460246 0.88 HCRTR2 (0.50) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4455615 0.87 HCRTR2 (0.47) HCRTR1HCRTR2OXTRALDH1A1NPSR1
SCHEMBL4465547 0.84 HCRTR2 (0.55) HCRTR1HCRTR2OXTRAVPR2AVPR1A
SCHEMBL4461757 0.82 HCRTR2 (0.57) HCRTR1HCRTR2OXTRLMNAHPGD

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.