SCHEMBL683671

SCHEMBL683671

Cn1cnc2c1c(=O)n(CN1CCC(c3ccccc3)CC1)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.54
ADORA2B P29275 8/20 0.52
KMT2A Q03164 1/20 0.49
GLA P06280 1/20 0.49
BLM P54132 1/20 0.49
MAPK1 P28482 1/20 0.47
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
USP2 O75604 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
SCHEMBL683711 0.85 HTR2A (0.58) HTR2AADORA2BKMT2AGLABLM
SCHEMBL684023 0.83 HTR2A (0.58) HTR2AADORA2BKMT2AGLABLM
SCHEMBL683615 0.82 ADORA2B (0.57) ADORA2BKMT2AMAPK1LMNATSHR
SCHEMBL23974958 0.82 ADORA2B (0.60) HTR2AADORA2BGLABLMACHE
SCHEMBL684071 0.81 HTR2A (0.81) HTR2AADORA2BKMT2APOLBRXFP1
SCHEMBL683646 0.78 HTR2A (0.52) HTR2AADORA2BKMT2AGLABLM
SCHEMBL684065 0.78 HTR2A (0.52) HTR2AADORA2BKMT2AGLABLM
SCHEMBL684062 0.78 HTR2A (0.52) HTR2AADORA2BKMT2AGLABLM
SCHEMBL7316541 0.78 ALDH1A1 (0.59) ADORA2BKMT2ALMNATSHRSMN1; SMN2
SCHEMBL10018599 0.78 ADORA2B (0.72) ADORA2BGLABLMACHEPIK3CD

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 HTR2A 1201/4885ADORA2B 786/4885KMT2A 1893/4885

“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.