SCHEMBL18351063

SCHEMBL18351063

CCc1cccc(CN2CC(=O)N(c3cnn(Cc4c(C)noc4C)c3)C2=O)c1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 20/20 0.86
▸ TAS2R14 Q9NYV8 1/20 0.82

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
SCHEMBL1278797 0.93 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL1279635 0.92 TAS2R8 (0.85) TAS2R8TAS2R14
SCHEMBL1279313 0.92 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL18351058 0.91 TAS2R8 (0.87) TAS2R8TAS2R14
SCHEMBL1278938 0.90 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL11924099 0.90 TAS2R8 (0.85) TAS2R8TAS2R14
SCHEMBL1279156 0.90 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL1279276 0.90 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL1278762 0.90 TAS2R8 (1.00) TAS2R8TAS2R14
SCHEMBL1278871 0.89 TAS2R8 (1.00) TAS2R8TAS2R14

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-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF SENOMYX INC (US) 2016-12-29 — — 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-20160376263-A1 BITTER TASTE MODIFIERS INCLUDING SUBSTITUTED 1-BENZYL-3-(1-(ISOXAZOL-4-YLMETHYL)-1H-PYRAZOL-4-YL)IMIDAZOLIDINE-2,4-DIONES AND COMPOSITIONS THEREOF TAS2R5, TAS1R1, TAS2R1 TAS2R8 8/4885TAS2R14 35/4885

“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.

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