SCHEMBL4453885

SCHEMBL4453885

CCN(CCN(c1ccc(OC)nc1)S(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.46
HCRTR1 O43613 3/20 0.46
OXTR P30559 9/20 0.45
AVPR2 P30518 4/20 0.43
AVPR1A P37288 4/20 0.43
TAS2R14 Q9NYV8 1/20 0.42
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
LMNA P02545 1/20 0.40

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) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL4452202 0.86 OXTR (0.48) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL4457194 0.85 HCRTR2 (0.47) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL4470460 0.84 HCRTR2 (0.62) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL4600173 0.84 HCRTR1 (0.51) HCRTR2HCRTR1OXTRAVPR1ATAS2R14
SCHEMBL4459456 0.83 HCRTR1 (0.49) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL1036984 0.83 HCRTR2 (0.63) HCRTR2HCRTR1OXTRAVPR2AVPR1A
SCHEMBL4457211 0.83 HCRTR1 (0.50) HCRTR2HCRTR1OXTRAVPR1AKEAP1
SCHEMBL4459186 0.82 HCRTR1 (0.49) HCRTR2HCRTR1OXTRAVPR1ATAS2R14
SCHEMBL1040729 0.82 HCRTR2 (0.67) HCRTR2HCRTR1OXTRAVPR2AVPR1A

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 5 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
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 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.