SCHEMBL4457709

SCHEMBL4457709

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C)C(=O)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.56
HCRTR1 O43613 3/20 0.56
OXTR P30559 12/20 0.48
AVPR1A P37288 2/20 0.44
AVPR2 P30518 1/20 0.44
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL4461757 0.92 HCRTR2 (0.57) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4470460 0.92 HCRTR2 (0.62) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4465547 0.91 HCRTR2 (0.55) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4453370 0.91 HCRTR2 (0.55) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4455961 0.90 HCRTR1 (0.45) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4461806 0.89 HCRTR2 (0.61) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4457677 0.88 HCRTR2 (0.67) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4470059 0.87 HCRTR2 (0.59) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4457085 0.87 HCRTR2 (0.59) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4455651 0.86 HCRTR2 (0.57) 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 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
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.