SCHEMBL3446755

SCHEMBL3446755

CCOOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.71
ADORA3 P0DMS8 2/20 0.71
ADORA2A P29274 2/20 0.71
ADORA2B P29275 2/20 0.71
SMN1; SMN2 Q16637 3/20 0.70
DPP4 P27487 1/20 0.70
MEN1 O00255 1/20 0.70
SLC28A1 O00337 1/20 0.70
MAP3K7 O43318 1/20 0.70
SLC28A2 O43868 1/20 0.70
GAPDH P04406 1/20 0.70
MAPK1 P28482 1/20 0.70
STAT6 P42226 1/20 0.70
PI4KA P42356 1/20 0.70
KMT2A Q03164 1/20 0.70
PI4K2B Q8TCG2 1/20 0.70
DOT1L Q8TEK3 1/20 0.70
SLC29A1 Q99808 1/20 0.70
PI4K2A Q9BTU6 1/20 0.70
SLC28A3 Q9HAS3 1/20 0.70

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
SCHEMBL873362 0.90 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL3447141 0.90 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL3698839 0.90 ADORA3 (0.72) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL8164443 0.89 P2RY1 (0.68) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
Water SCHEMBL4262656 0.88 ADORA1 (0.71) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL15338536 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL15926827 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL15338502 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL15788449 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2
SCHEMBL384075 0.88 ADORA1 (0.74) ADORA1ADORA3ADORA2AADORA2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759321-B2 Compounds for the treatment of pain CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2010-07-20 US disclosed
US-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes BIOVITRUM AB (PUBL) (SE) 2008-09-11 US disclosed
EP-1603577-B1 COMPOUNDS FOR THE TREATMENT OF PAIN CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2008-07-16 EP disclosed
US-20070066559-A1 Compounds for the treatment of pain BIOVITRUM AB (PUBL) (SE) 2007-03-22 US disclosed
EP-1749016-A2 ADENOSINE RECEPTOR AGONISTS Cambridge Biotechnology Ltd (GB) 2007-02-07 EP disclosed
EP-1603577-A1 COMPOUNDS FOR THE TREATMENT OF PAIN Cambridge Biotechnology Ltd (GB) 2005-12-14 EP disclosed
WO-2005084653-A2 ADENOSINE RECEPTOR AGONISTS CAMBRIDGE BIOTECHNOLOGY LIMITED (GB) 2005-09-15 WO disclosed
WO-2004078183-A1 COMPOUNDS FOR THE TREATMENT OF PAIN CAMBRIDGE BIOTECHNOLOGY LTD (GB) 2004-09-16 WO disclosed
WO-1998016539-A1 NOVEL THERAPEUTICALLY ACTIVE ADENOSINE DERIVATIVES NOVO NORDISK A/S (DK) 1998-04-23 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 (2 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-20080221060-A1 Adenosine derivatives for treatment of pain and/or inflammation; diabetes ADORA3, ADORA2B, P2RX3 ADORA1 21/4885ADORA3 1/4885ADORA2A 9/4885
US-20070066559-A1 Compounds for the treatment of pain OPRK1, OPRL1, OPRM1 ADORA1 361/4885ADORA3 167/4885ADORA2A 239/4885

“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.