SCHEMBL684068

SCHEMBL684068

COc1cccc(N2CCN(Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 1/20 0.50
HTR1A P08908 6/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.48
MAOB P27338 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD4 P21917 1/20 0.48
HRH2 P25021 1/20 0.48
HTR1B P28222 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
ADRA1B P35368 1/20 0.48
HTR2B P41595 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KCNH2 Q12809 2/20 0.48
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL684377 0.91 MAPK1 (0.47) ADORA2BHTR2AHTR7MAPK1
SCHEMBL684375 0.89 ADORA2B (0.53) ADORA2BHTR2AMAPK1
SCHEMBL684026 0.88 MAPK1 (0.49) ADORA2BHTR2AHTR7KCNH2MAPK1
SCHEMBL683652 0.88 MAPK1 (0.55) HTR1AHTR2AMAPK1TP53
SCHEMBL684023 0.87 HTR2A (0.58) ADORA2BHTR2AHTR7MAPK1
SCHEMBL683707 0.85 ADORA2B (0.45) ADORA2BHTR2AMAPK1TP53RXFP1
SCHEMBL683657 0.85 DRD2 (0.51) HTR1ADRD2HTR2AHTR7ADRA2A
SCHEMBL683994 0.83 RXFP1 (0.63) HTR1ADRD2HTR2AHTR7MAOB
SCHEMBL683665 0.83 ADORA2B (0.47) ADORA2BHTR2AMAPK1RXFP1
SCHEMBL683653 0.82 ADRA1D (0.52) ADORA2BDRD2HTR2ADRD4ADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 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-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ADORA2B 786/4885HTR1A 1265/4885DRD2 2428/4885

“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.