SCHEMBL682776

SCHEMBL682776

CC(Cc1ccc(O)c(O)c1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.50
LMNA P02545 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ABCC8 Q09428 1/20 0.47
KCNJ11 Q14654 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
POLB P06746 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
SCHEMBL11532070 0.86 CYP1A2 (0.50) ADORA2BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL684285 0.85 RXFP1 (0.53) ADORA2BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL682774 0.85 LMNA (0.66) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL683922 0.84 CYP1A2 (0.61) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1
Fenethylline SCHEMBL149145 0.84 ALDH1A1 (0.65) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1
Fenethylline SCHEMBL155920 0.83 ALDH1A1 (0.64) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1
Fenethylline SCHEMBL121386 0.83 ALDH1A1 (0.64) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1
SCHEMBL683565 0.83 ADORA2B (0.49) ADORA2BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL683924 0.83 SMN1; SMN2 (0.67) ADORA2BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL683984 0.83 RXFP1 (0.63) ADORA2BLMNASMN1; SMN2MAPK1ALDH1A1

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 786/4885LMNA 2155/4885SMN1; SMN2 907/4885

“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.