SCHEMBL785085

SCHEMBL785085

O=C(O)c1ccc2c(c1)C(NC(=O)c1cncc3ccccc13)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.44
TAS1R1 Q7RTX1 4/20 0.44
TAS1R2 Q8TE23 2/20 0.44
POLB P06746 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
WDR5 P61964 4/20 0.43
HTT P42858 1/20 0.42
HPGDS O60760 1/20 0.42
DPP4 P27487 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
KCNH2 Q12809 2/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL785084 1.00 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2POLBPDE4A
SCHEMBL803725 0.89 PDE4A (0.46) TAS1R3TAS1R1TAS1R2POLBPDE4A
SCHEMBL785682 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL785637 0.87 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784599 0.81 HTT (0.62) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL784469 0.81 HTT (0.62) TAS1R3TAS1R1TAS1R2PDE4APDE4B
SCHEMBL785274 0.79 WDR5 (0.47) TAS1R3TAS1R1TAS1R2POLBPDE4A
SCHEMBL785275 0.79 WDR5 (0.47) TAS1R3TAS1R1TAS1R2POLBPDE4A
SCHEMBL785271 0.78 CTSS (0.38) WDR5DPP4DPP7HTR1ADRD2
SCHEMBL485045 0.78 MEN1 (0.51) TAS1R3TAS1R1TAS1R2PDE4APDE4B

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.