SCHEMBL12062575

SCHEMBL12062575

C=C1NC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 20/20 0.66

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
SCHEMBL13940178 0.81 TAS2R8 (0.63) TAS2R8
SCHEMBL18351062 0.80 TAS2R8 (0.74) TAS2R8
SCHEMBL1279846 0.80 TAS2R8 (0.72) TAS2R8
SCHEMBL1278924 0.79 TAS2R8 (1.00) TAS2R8
SCHEMBL1278925 0.79 TAS2R8 (1.00) TAS2R8
SCHEMBL1278921 0.79 TAS2R8 (1.00) TAS2R8
SCHEMBL1279309 0.79 TAS2R8 (1.00) TAS2R8
SCHEMBL1278749 0.78 TAS2R8 (1.00) TAS2R8
SCHEMBL12289270 0.78 TAS2R8 (0.82) TAS2R8
SCHEMBL1279815 0.77 TAS2R8 (1.00) TAS2R8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076491-B2 Compounds that inhibit (block) bitter taste in composition and use thereof SENOMYX, INC. (US) 2011-12-13 — — US disclosed
US-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof SENOMYX, INC. (US) 2010-10-07 — — 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-20100254916-A1 Identification of human T2R receptors that respond to bitter compounds that elicit the bitter taste in compositions, and the use thereof in assays to identify compounds that inhibit (block) bitter taste in compositions and use thereof TAS2R50, TAS2R1, TAS2R30 TAS2R8 16/4885

“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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