SCHEMBL2776512

SCHEMBL2776512

C[C@H]1O[C@@H](n2cnc3c(N)nc(NC4CCCC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.75
ADORA3 P0DMS8 4/20 0.63
ADORA2B P29275 3/20 0.54
ADORA1 P30542 4/20 0.54

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
SCHEMBL18172261 0.86 ADORA3 (0.72) ADORA2AADORA3ADORA2B
SCHEMBL5040895 0.85 ADORA2A (0.98) ADORA2AADORA3ADORA2BADORA1
SCHEMBL8100492 0.82 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7208804 0.82 ADORA2A (0.65) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4452559 0.80 ADORA3 (0.77) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4452551 0.80 ADORA3 (0.77) ADORA2AADORA3ADORA2BADORA1
SCHEMBL19843948 0.80 ADORA3 (0.77) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5094349 0.80 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL3879857 0.79 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL19100521 0.79 ADORA3 (0.81) ADORA2AADORA3ADORA2BADORA1

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-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
US-7807685-B2 Therapeutic compounds CBT DEVELOPMENT LIMITED (GB) 2010-10-05 US disclosed
EP-2081946-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN Biovitrum AB (publ) (SE) 2009-07-29 EP disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 US disclosed
US-20080076776-A1 Therapeutic compounds BIOVITRUM AB (SE) 2008-03-27 US disclosed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 WO disclosed
WO-2008000745-A2 ADENOSINE DERIVATIVES FOR THE TREATMENT OF PAIN BIOVITRUM AB (PUBL) (SE) 2008-01-03 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-20080076776-A1 Therapeutic compounds FPR3, OGFR, OPRK1 ADORA2A 1448/4885ADORA3 370/4885ADORA2B 699/4885

“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.