SCHEMBL4805449

SCHEMBL4805449

OC[C@H]1O[C@@H](n2cnc3c(Nc4cc[nH]c4)nc(-c4nnn[nH]4)nc32)[C@@H](O)[C@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
PMP22 Q01453 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
NPY1R P25929 1/20 0.49
HTT P42858 1/20 0.49
NPY2R P49146 1/20 0.49
RAB9A P51151 1/20 0.49
SLC29A1 Q99808 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
THPO P40225 1/20 0.49
ADORA3 P0DMS8 5/20 0.49
ADORA1 P30542 5/20 0.49

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
SCHEMBL4806841 0.89 CYP1A2 (0.63) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL4798374 0.85 ADORA3 (0.65) CYP1A2MAPK1CYP2C19ADORA3ADORA1
SCHEMBL4804353 0.85 ADORA3 (0.60) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL4798221 0.83 ADORA3 (0.58) SLC29A1ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5390238 0.83 ADORA1 (0.62) LMNARXFP1CYP1A2MAPK1ADORA3
SCHEMBL4850933 0.83 ADORA3 (0.68) LMNAALDH1A1GLAPMP22SMN1; SMN2
SCHEMBL7076255 0.83 ADORA1 (0.62) LMNARXFP1CYP1A2MAPK1ADORA3
SCHEMBL3949755 0.83 ADORA1 (0.62) LMNARXFP1CYP1A2MAPK1ADORA3
SCHEMBL7076252 0.83 ADORA1 (0.62) LMNARXFP1CYP1A2MAPK1ADORA3
SCHEMBL4804672 0.82 ADORA3 (0.62) PMP22HTTSLC29A1RXFP1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381714-B2 A1 adenosine receptor agonists CV THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
EP-1883646-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2008-02-06 EP disclosed
US-20060276428-A1 A1 adenosine receptor agonists CV THERAPEUTICS, INC. 2006-12-07 US disclosed
WO-2006125190-A1 A1 ADENOSINE RECEPTOR AGONISTS CV THERAPEUTICS, INC. (US) 2006-11-23 WO 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-20060276428-A1 A1 adenosine receptor agonists ADORA1, ADORA2A, ADORA3 LMNA 1717/4885ALDH1A1 77/4885GLA 3030/4885

“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.