SCHEMBL682830

SCHEMBL682830

Cc1ccc(N2CCN(Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.50
HTR2A P28223 1/20 0.49
GLA P06280 1/20 0.49
BLM P54132 1/20 0.49
TNF P01375 2/20 0.47
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
ACHE P22303 2/20 0.46
PIK3CD O00329 1/20 0.46
POLB P06746 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CNR1 P21554 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NTSR1 P30989 1/20 0.46
MC3R P41968 1/20 0.46
NOTUM Q6P988 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
GDA Q9Y2T3 1/20 0.46
NR2E1 Q9Y466 1/20 0.46

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
SCHEMBL684023 0.90 HTR2A (0.58) ADORA2BHTR2AGLABLMHTR7
SCHEMBL684375 0.88 ADORA2B (0.53) ADORA2BHTR2ALMNATSHRSMN1; SMN2
SCHEMBL683665 0.88 ADORA2B (0.47) ADORA2BHTR2AGLABLMTNF
SCHEMBL683668 0.87 ADORA2B (0.49) ADORA2BHTR2AGLABLMTNF
SCHEMBL684026 0.87 MAPK1 (0.49) ADORA2BHTR2AGLABLMHTR7
SCHEMBL683653 0.85 ADRA1D (0.52) ADORA2BHTR2AGLABLMTNF
SCHEMBL683667 0.85 ADORA2B (0.46) ADORA2BHTR2AGLABLMTNF
SCHEMBL682828 0.85 ADORA2B (0.46) ADORA2BHTR2AGLABLMTNF
SCHEMBL684376 0.85 ADORA2B (0.46) ADORA2BHTR2AGLABLMTNF
SCHEMBL683640 0.83 HTR2A (0.51) ADORA2BHTR2AGLABLMTNF

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 786/4885HTR2A 1201/4885GLA 1358/4885

“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.