SCHEMBL4457094

SCHEMBL4457094

CCN(Cc1ccccc1)C(CN(c1ccc(OC)nc1)S(=O)(=O)c1ccccc1C)OC(=O)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.54
HCRTR1 O43613 3/20 0.54
OXTR P30559 14/20 0.44
AVPR1A P37288 4/20 0.41
AVPR2 P30518 3/20 0.41
AVPR1B P47901 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL4457089 0.80 HCRTR2 (0.57) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL1037661 0.77 HCRTR2 (0.85) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4457706 0.76 HCRTR1 (0.59) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4471228 0.75 HCRTR2 (0.59) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4457670 0.75 HCRTR2 (0.63) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL1037307 0.74 HCRTR2 (0.64) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL1038433 0.74 HCRTR2 (0.74) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4462743 0.73 HCRTR2 (0.65) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL1040535 0.73 HCRTR2 (0.78) HCRTR2HCRTR1OXTRAVPR1AAVPR2
SCHEMBL4455684 0.72 HCRTR2 (0.63) 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 1 patent. 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

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.