SCHEMBL683985

SCHEMBL683985

COc1ccccc1CC(C)NCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.53
CASP1 P29466 1/20 0.53
LMNA P02545 2/20 0.51
RXFP1 Q9HBX9 5/20 0.50
ALDH1A1 P00352 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
ADORA2B P29275 2/20 0.48
TSHR P16473 1/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 1/20 0.47

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
SCHEMBL684286 0.92 RXFP1 (0.52) ALOX15SMN1; SMN2CASP1LMNARXFP1
SCHEMBL683913 0.88 RXFP1 (0.55) ALOX15SMN1; SMN2LMNARXFP1ADORA2B
SCHEMBL25395304 0.84 RXFP1 (0.57) ALOX15SMN1; SMN2LMNARXFP1ADORA2B
SCHEMBL683922 0.83 CYP1A2 (0.61) ALOX15SMN1; SMN2LMNARXFP1ALDH1A1
Fenethylline SCHEMBL149145 0.83 ALDH1A1 (0.65) SMN1; SMN2LMNARXFP1ALDH1A1L3MBTL1
Fenethylline SCHEMBL121386 0.83 ALDH1A1 (0.64) SMN1; SMN2LMNARXFP1ALDH1A1L3MBTL1
Fenethylline SCHEMBL155920 0.83 ALDH1A1 (0.64) SMN1; SMN2LMNARXFP1ALDH1A1L3MBTL1
SCHEMBL683986 0.82 CYP1A2 (0.51) ALOX15SMN1; SMN2LMNARXFP1ALDH1A1
SCHEMBL683984 0.82 RXFP1 (0.63) SMN1; SMN2LMNARXFP1ALDH1A1ADORA2B
SCHEMBL684309 0.81 ALDH1A1 (0.50) SMN1; SMN2CASP1RXFP1ALDH1A1L3MBTL1

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 ALOX15 1046/4885SMN1; SMN2 907/4885CASP1 2575/4885

“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.