SCHEMBL683668

SCHEMBL683668

CCOc1ccc(N2CCN(Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 6/20 0.49
TNF P01375 3/20 0.48
HTR2A P28223 1/20 0.46
GLA P06280 1/20 0.46
BLM P54132 1/20 0.46
PDE3A Q14432 1/20 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
SCHEMBL684375 0.91 ADORA2B (0.53) ADORA2BHTR2A
SCHEMBL684377 0.89 MAPK1 (0.47) ADORA2BTNFHTR2AGLABLM
SCHEMBL682830 0.87 ADORA2B (0.50) ADORA2BTNFHTR2AGLABLM
SCHEMBL684023 0.86 HTR2A (0.58) ADORA2BHTR2AGLABLM
SCHEMBL683665 0.82 ADORA2B (0.47) ADORA2BTNFHTR2AGLABLM
SCHEMBL684041 0.82 HTR7 (0.58) ADORA2B
SCHEMBL684068 0.82 ADORA2B (0.50) ADORA2BHTR2A
SCHEMBL683653 0.82 ADRA1D (0.52) ADORA2BTNFHTR2AGLABLM
SCHEMBL684026 0.80 MAPK1 (0.49) ADORA2BHTR2AGLABLM
SCHEMBL683652 0.80 MAPK1 (0.55) TNFHTR2AGLA

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 786/4885TNF 491/4885HTR2A 1201/4885

“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.