SCHEMBL803173

SCHEMBL803173

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)CC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
TAS1R2 Q8TE23 3/20 0.44
RBP4 P02753 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
CTSS P25774 2/20 0.41
SLC6A9 P48067 6/20 0.41
WDR5 P61964 1/20 0.41
PDE10A Q9Y233 1/20 0.40
CTSK P43235 1/20 0.40
BDKRB1 P46663 1/20 0.40

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
SCHEMBL803558 0.90 PDE4A (0.48) TAS1R3TAS1R1TAS1R2RBP4PDE4A
SCHEMBL785747 0.89 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL785748 0.89 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL803187 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL15226585 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL15226782 0.87 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL13131205 0.87 TAS1R3 (0.54) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL2819193 0.86 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2RBP4PDE4A
SCHEMBL2819195 0.86 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2RBP4PDE4A
SCHEMBL2818878 0.83 RBP4 (0.45) TAS1R3TAS1R1TAS1R2RBP4PDE4A

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 5 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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.