SCHEMBL683580

SCHEMBL683580

CC(C)N(CCn1cnc2c1c(=O)n(C)c(=O)n2C)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.63
LMNA P02545 3/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
RXFP1 Q9HBX9 2/20 0.58
POLB P06746 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MAPK1 P28482 1/20 0.55

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
Dimethazan SCHEMBL49056 0.84 PDE4A (0.73) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120984 0.83 ADORA2B (0.81) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
Etamiphyllin SCHEMBL355304 0.83 ADORA2B (0.67) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL18399526 0.81 ADORA2B (0.68) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
Etamiphyllin SCHEMBL1651150 0.81 ADORA2B (0.63) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120975 0.81 ADORA2B (0.88) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL16120979 0.81 ADORA2B (0.85) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11539363 0.80 ADORA2B (0.67) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
Isbufylline SCHEMBL678978 0.80 LMNA (0.78) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL8443037 0.79 ADORA2B (0.77) ADORA2BLMNAMAPTSMN1; SMN2ALDH1A1

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 786/4885LMNA 2155/4885MAPT 1368/4885

“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.