SCHEMBL683986

SCHEMBL683986

COc1cc(CC(C)NCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
RXFP1 Q9HBX9 3/20 0.47
TP53 P04637 1/20 0.47
ADORA2B P29275 6/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL683922 0.89 CYP1A2 (0.61) CYP1A2CYP3A4SMN1; SMN2RXFP1TP53
SCHEMBL683984 0.84 RXFP1 (0.63) CYP1A2CYP3A4SMN1; SMN2RXFP1TP53
SCHEMBL684286 0.84 RXFP1 (0.52) CYP1A2CYP3A4SMN1; SMN2RXFP1TP53
SCHEMBL683921 0.83 RXFP1 (0.68) SMN1; SMN2RXFP1TP53ADORA2BLMNA
SCHEMBL683985 0.82 ALOX15 (0.56) SMN1; SMN2RXFP1TP53ADORA2BLMNA
SCHEMBL25395304 0.82 RXFP1 (0.57) CYP1A2CYP3A4SMN1; SMN2RXFP1ADORA2B
SCHEMBL683913 0.82 RXFP1 (0.55) CYP1A2CYP3A4SMN1; SMN2RXFP1TP53
Fenethylline SCHEMBL149145 0.81 ALDH1A1 (0.65) SMN1; SMN2RXFP1ADORA2BLMNAMAPT
Fenethylline SCHEMBL121386 0.81 ALDH1A1 (0.64) SMN1; SMN2RXFP1ADORA2BLMNAMAPT
SCHEMBL684285 0.81 RXFP1 (0.53) SMN1; SMN2RXFP1ADORA2BLMNAMAPT

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 CYP1A2 4049/4885CYP3A4 4777/4885SMN1; 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.