SCHEMBL1655607

SCHEMBL1655607

CCCCn1c(=O)n(-c2cnn(CC3C(C)=NOC3C)c2)c(=O)n1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TAS2R8 Q9NYW2 17/20 0.61
▸ ADORA2A P29274 3/20 0.37
▸ ADORA2B P29275 3/20 0.37
▸ ADORA1 P30542 3/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL12062463 0.79 TAS2R8 (0.44) TAS2R8
SCHEMBL1279293 0.76 TAS2R8 (1.00) TAS2R8
SCHEMBL12666739 0.73 TAS2R8 (0.61) TAS2R8
SCHEMBL12665431 0.73 TAS2R8 (0.61) TAS2R8
SCHEMBL16716503 0.70 TAS2R8 (0.66) TAS2R8ADORA2AADORA2BADORA1ADORA3
SCHEMBL1279498 0.70 TAS2R8 (1.00) TAS2R8
SCHEMBL1278900 0.66 TAS2R8 (1.00) TAS2R8
SCHEMBL16716540 0.66 TAS2R8 (0.64) TAS2R8
SCHEMBL1279646 0.66 TAS2R8 (1.00) TAS2R8
SCHEMBL1279790 0.64 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF SENOMYX, INC. (US) 2012-04-12 — — US disclosed
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 (2 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-20120088796-A1 COMPOUNDS THAT INHIBIT (BLOCK) BITTER TASTE IN COMPOSITION AND USE THEREOF TAS2R50, TAS2R5, TAS2R1 TAS2R8 20/4885ADORA2A 325/4885ADORA2B 80/4885
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 16/4885ADORA2A 323/4885ADORA2B 109/4885

“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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