SCHEMBL6559701

SCHEMBL6559701

COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)cc4)ncnc32)C(O)C1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.77
ADORA1 P30542 2/20 0.77
LMNA P02545 2/20 0.65
ALDH1A1 P00352 1/20 0.65
GLA P06280 1/20 0.65
PMP22 Q01453 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPC1 O15118 1/20 0.65
NPY1R P25929 1/20 0.65
HTT P42858 1/20 0.65
NPY2R P49146 1/20 0.65
RAB9A P51151 1/20 0.65
SLC29A1 Q99808 1/20 0.65
RXFP1 Q9HBX9 1/20 0.65
CYP1A2 P05177 1/20 0.65
TSHR P16473 1/20 0.65
NFKB1 P19838 1/20 0.65
MAPK1 P28482 1/20 0.65
CYP2C19 P33261 1/20 0.65
THPO P40225 1/20 0.65

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
SCHEMBL6559694 1.00 ADORA3 (0.77) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6659305 0.91 ADORA1 (0.72) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6659300 0.91 ADORA1 (0.72) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6657697 0.87 ADORA3 (0.81) ADORA3ADORA1LMNAALDH1A1GLA
Gr-190178 SCHEMBL6559897 0.87 ADORA3 (1.00) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6657691 0.87 ADORA3 (0.81) ADORA3ADORA1LMNAALDH1A1GLA
Gr-190178 SCHEMBL6559907 0.87 ADORA3 (1.00) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL7525284 0.87 ADORA3 (0.60) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL7525293 0.87 ADORA3 (0.60) ADORA3ADORA1LMNAALDH1A1GLA
SCHEMBL6661610 0.87 ADORA1 (0.68) ADORA3ADORA1LMNAALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167092-A1 Medicaments BOUNTRA CHARANJIT (GB) 2004-08-26 US claimed
EP-1397147-A1 USE OF ADENOSINE A1 AGONISTS IN THE TREATMENT OF EMESIS GLAXO GROUP LIMITED (GB) 2004-03-17 EP claimed
WO-2002069982-A1 MEDICAMENTS GLAXO GROUP LIMITED (GB) 2002-09-12 WO claimed
US-20040167092-A1 Medicaments BOUNTRA CHARANJIT (GB) 2004-08-26 US disclosed
EP-1397147-A1 USE OF ADENOSINE A1 AGONISTS IN THE TREATMENT OF EMESIS GLAXO GROUP LIMITED (GB) 2004-03-17 EP disclosed
WO-2002069982-A1 MEDICAMENTS GLAXO GROUP LIMITED (GB) 2002-09-12 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-20040167092-A1 Medicaments ADORA1, ADORA2A, ADORA3 ADORA3 3/4885ADORA1 1/4885LMNA 2257/4885

“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.