SCHEMBL785748

SCHEMBL785748

O=C(O)c1ccc2c(c1)C(NC(=O)c1cccc(C(F)(F)F)c1Cl)CC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.47
TAS1R1 Q7RTX1 6/20 0.47
TAS1R2 Q8TE23 5/20 0.47
WDR5 P61964 1/20 0.45
SLC6A9 P48067 6/20 0.41
CTSS P25774 2/20 0.41
ALDH1A1 P00352 1/20 0.41
USP36 Q9P275 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CTSK P43235 1/20 0.40
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL785747 1.00 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2WDR5SLC6A9
SCHEMBL785669 0.89 WDR5 (0.47) TAS1R3TAS1R1TAS1R2WDR5CTSS
SCHEMBL785745 0.89 WDR5 (0.47) TAS1R3TAS1R1TAS1R2WDR5CTSS
SCHEMBL803173 0.89 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2WDR5SLC6A9
SCHEMBL784577 0.86 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2WDR5CTSS
SCHEMBL785484 0.86 TAS1R3 (0.49) TAS1R3TAS1R1TAS1R2WDR5CTSS
SCHEMBL484952 0.86 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL2819077 0.86 TAS1R3 (0.57) TAS1R3TAS1R1TAS1R2ALDH1A1PDE4A
SCHEMBL2818919 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2WDR5PDE4A
SCHEMBL2818921 0.86 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2WDR5PDE4A

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 TAS1R3 202/4885TAS1R1 75/4885TAS1R2 163/4885

“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.