SCHEMBL684300

SCHEMBL684300

CC(Cc1ccc(OCc2ccccc2)cc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
RXFP1 Q9HBX9 6/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ADORA2B P29275 1/20 0.53
TSHR P16473 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
LMNA P02545 1/20 0.47
CASP1 P29466 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
CNOT7 Q9UIV1 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
Fenethylline SCHEMBL149145 0.91 ALDH1A1 (0.65) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL684304 0.91 RXFP1 (0.55) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL155920 0.90 ALDH1A1 (0.64) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL121386 0.90 ALDH1A1 (0.64) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL683993 0.88 ALDH1A1 (0.53) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL684309 0.88 ALDH1A1 (0.50) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL14057908 0.88 ALDH1A1 (0.60) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL1934850 0.88 ALDH1A1 (0.60) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR
SCHEMBL683984 0.88 RXFP1 (0.63) ALDH1A1RXFP1SMN1; SMN2ADORA2BMAPK1
Fenethylline SCHEMBL28154439 0.84 SMN1; SMN2 (0.55) ALDH1A1RXFP1SMN1; SMN2ADORA2BTSHR

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 ALDH1A1 1565/4885RXFP1 211/4885SMN1; 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.