SCHEMBL2512535

SCHEMBL2512535

CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)C(=O)NC1CCCc2c(OC)cccc21

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 3/20 0.42
▸ TAS1R1 Q7RTX1 3/20 0.42
▸ TAS1R2 Q8TE23 3/20 0.42
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ DRD4 P21917 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ SSTR4 P31391 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
SCHEMBL621576 0.90 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL621324 0.84 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL31670266 0.84 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL21281237 0.83 TAS1R3 (0.41) TAS1R3TAS1R1TAS1R2CA1CA2
SCHEMBL2509459 0.82 MAPK1 (0.37) SSTR4
SCHEMBL2511940 0.81 SSTR4 (0.41) SSTR4
SCHEMBL2514146 0.81 SSTR4 (0.40) SSTR4
SCHEMBL2515168 0.81 SSTR4 (0.40) SSTR4
SCHEMBL2513236 0.81 SSTR4 (0.40) SSTR4
SCHEMBL17057377 0.78 SSTR4 (0.37) ACHESSTR4

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-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 — — US disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 — — 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 TAS1R3 18/4885TAS1R1 13/4885TAS1R2 17/4885

“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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