SCHEMBL683563

SCHEMBL683563

Cc1ccc(CC(C)NCCCCCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.54
TSHR P16473 1/20 0.52
RXFP1 Q9HBX9 3/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 3/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 1/20 0.47
HTR7 P34969 1/20 0.47
HTR6 P50406 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL682773 1.00 ADORA2B (0.54) ADORA2BTSHRRXFP1MAPK1POLB
SCHEMBL683928 0.99 ADORA2B (0.55) ADORA2BTSHRRXFP1MAPK1POLB
SCHEMBL684285 0.92 RXFP1 (0.53) ADORA2BTSHRRXFP1MAPK1POLB
SCHEMBL682774 0.82 LMNA (0.66) ADORA2BTSHRRXFP1MAPK1LMNA
Fenethylline SCHEMBL149145 0.82 ALDH1A1 (0.65) ADORA2BTSHRRXFP1MAPK1LMNA
Fenethylline SCHEMBL155920 0.81 ALDH1A1 (0.64) ADORA2BTSHRRXFP1MAPK1LMNA
Fenethylline SCHEMBL121386 0.81 ALDH1A1 (0.64) ADORA2BTSHRRXFP1MAPK1LMNA
SCHEMBL683984 0.81 RXFP1 (0.63) ADORA2BRXFP1MAPK1LMNAALDH1A1
Fenethylline SCHEMBL14057908 0.79 ALDH1A1 (0.60) ADORA2BTSHRRXFP1MAPK1POLB
Fenethylline SCHEMBL1934850 0.79 ALDH1A1 (0.60) ADORA2BTSHRRXFP1MAPK1LMNA

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 2 patents. 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
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 786/4885TSHR 1873/4885RXFP1 211/4885

“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.