SCHEMBL803558

SCHEMBL803558

COC(=O)c1ccc2c(c1)[C@H](NC(=O)c1ccccc1C(F)(F)F)CC2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
RBP4 P02753 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 1/20 0.47
TAS1R3 Q7RTX0 4/20 0.46
TAS1R1 Q7RTX1 4/20 0.46
WDR5 P61964 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
PDE10A Q9Y233 3/20 0.42
BDKRB1 P46663 1/20 0.42
NOTUM Q6P988 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL784925 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL784924 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL803173 0.90 TAS1R3 (0.46) PDE4APDE4BPDE4CPDE4DRBP4
SCHEMBL785669 0.88 WDR5 (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL785745 0.88 WDR5 (0.47) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL2817523 0.86 NPC1 (0.43) PDE4APDE4BPDE4CPDE4DRBP4
SCHEMBL803174 0.86 NPC1 (0.43) PDE4APDE4BPDE4CPDE4DRBP4
SCHEMBL2816180 0.86 KMT2A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL803537 0.86 KMT2A (0.52) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL2818878 0.85 RBP4 (0.45) PDE4APDE4BPDE4CPDE4DRBP4

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 4 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
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 PDE4A 944/4885PDE4B 939/4885PDE4C 997/4885

“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.