SCHEMBL684304

SCHEMBL684304

CC(Cc1cccc(OCc2ccccc2)c1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 4/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ADORA2B P29275 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.48
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
UBE2N P61088 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 3/20 0.46
PKM P14618 2/20 0.46
MAOA P21397 2/20 0.46
CASP1 P29466 1/20 0.45
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
CNOT7 Q9UIV1 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL684300 0.91 ALDH1A1 (0.55) RXFP1TP53ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL683921 0.90 RXFP1 (0.68) RXFP1TP53ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL683993 0.89 ALDH1A1 (0.53) RXFP1TP53ALDH1A1SMN1; SMN2ADORA2B
SCHEMBL684309 0.88 ALDH1A1 (0.50) RXFP1TP53ALDH1A1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL149145 0.88 ALDH1A1 (0.65) RXFP1ALDH1A1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL155920 0.87 ALDH1A1 (0.64) RXFP1ALDH1A1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL121386 0.87 ALDH1A1 (0.64) RXFP1ALDH1A1SMN1; SMN2ADORA2BTSHR
SCHEMBL683924 0.84 SMN1; SMN2 (0.67) RXFP1TP53ALDH1A1SMN1; SMN2ADORA2B
Fenethylline SCHEMBL14057908 0.84 ALDH1A1 (0.60) RXFP1ALDH1A1SMN1; SMN2ADORA2BTSHR
Fenethylline SCHEMBL1934850 0.84 ALDH1A1 (0.60) RXFP1ALDH1A1SMN1; 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 RXFP1 211/4885TP53 4370/4885ALDH1A1 1565/4885

“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.