SCHEMBL8247448

SCHEMBL8247448

COc1ccc(N(CCNC(=O)OC(C)(C)C)S(=O)(=O)c2ccccc2C)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.51
HCRTR2 O43614 3/20 0.51
OXTR P30559 15/20 0.44
AVPR1A P37288 5/20 0.43
AVPR2 P30518 2/20 0.43
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
AVPR1B P47901 1/20 0.40
GABRA5 P31644 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
SCHEMBL4465521 0.89 HCRTR1 (0.55) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL8250514 0.89 CKS1B (0.42) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4466283 0.86 HCRTR1 (0.52) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4459174 0.84 HCRTR1 (0.51) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4452216 0.84 HCRTR1 (0.55) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL8247320 0.82 HCRTR2 (0.59) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4467106 0.82 HCRTR2 (0.54) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4462733 0.82 HCRTR2 (0.59) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4558123 0.80 HCRTR1 (0.49) HCRTR1HCRTR2OXTRAVPR1AAVPR2
SCHEMBL4613644 0.80 HCRTR1 (0.49) HCRTR1HCRTR2OXTRAVPR1AAVPR2

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 3 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 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.