SCHEMBL14907967

SCHEMBL14907967

CCCCOc1ccc(Cn2c(=O)c3c(ncn3C)n(Cc3ccc(OCCCC)c(OCCCC)c3)c2=O)cc1OCCCC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.55
PDE4B Q07343 5/20 0.55
PDE4C Q08493 5/20 0.55
PDE4D Q08499 5/20 0.55
ADORA2A P29274 4/20 0.55
ADORA2B P29275 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 2/20 0.49
TNF P01375 1/20 0.46
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL19006914 0.84 MAPK1 (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15870738 0.83 ADORA2A (0.54) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL15870745 0.83 SMN1; SMN2 (0.52) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19006915 0.78 MAPK1 (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL14907925 0.77 MAPK1 (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL18990403 0.74 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL14907906 0.74 SMN1; SMN2 (0.62) CYP1A2CYP3A4HSD17B10MAPK1ALDH1A1
SCHEMBL15869890 0.74 MAPK1 (0.50) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL18990290 0.72 MAPK1 (0.60) ADORA2BBLMMAPK1ALDH1A1NPSR1
SCHEMBL316911 0.71 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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
EP-2753333-B1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED INC (US) 2017-06-21 EP disclosed
US-9169255-B2 Caffeinated compounds and compositions for treatment of amyloid diseases and synucleinopathies PROTEO TECH INC. (US) 2015-10-27 US disclosed
US-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTAMED, INC. 2014-07-10 US disclosed
WO-2013062762-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES PROTEOTECH INC (US) 2013-05-02 WO 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-20140194447-A1 CAFFEINATED COMPOUNDS AND COMPOSITIONS FOR TREATMENT OF AMYLOID DISEASES AND SYNUCLEINOPATHIES SNCA, PARK7, APP PDE4A 1703/4885PDE4B 1996/4885PDE4C 2320/4885

“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.