SCHEMBL20122208

SCHEMBL20122208

CNC(=O)C12CC1[C@@H](n1cnc3c(NC4CCC4)nc(C#Cc4ccco4)nc31)[C@H](O)[C@@H]2O

nearest known ligand 0.83

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 19/20 0.83
▸ TMIGD3 P0DMS9 1/20 0.66
▸ ADORA2A P29274 2/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ HTR2B P41595 2/20 0.64
▸ TMEM97 Q5BJF2 2/20 0.64

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
SCHEMBL16774261 1.00 ADORA3 (0.83) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL18352572 0.93 ADORA3 (0.71) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL16774187 0.91 ADORA3 (1.00) ADORA3
SCHEMBL20122172 0.91 ADORA3 (1.00) ADORA3
SCHEMBL30255348 0.91 ADORA3 (1.00) ADORA3
SCHEMBL20122119 0.86 ADORA3 (0.61) ADORA3TMIGD3ADORA2AADORA1HTR2B
SCHEMBL18352607 0.84 ADORA3 (0.86) ADORA3ADORA2A
SCHEMBL16774291 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL16774154 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA1
SCHEMBL20122127 0.83 ADORA3 (1.00) ADORA3TMIGD3ADORA1

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
EP-3074398-B1 A3 ADENOSINE RECEPTOR AGONISTS US HEALTH (US) 2021-03-17 — — EP disclosed
WO-2020168274-A1 TREATMENT OF CHRONIC HEADACHES SAINT LOUIS UNIVERSITY (US) 2020-08-20 — — WO disclosed
US-10577368-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-03-03 — — US disclosed
US-9963450-B2 A3 adenosine receptor agonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-08 — — 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-10577368-B2 A3 adenosine receptor agonists ADORA3, ADORA2B, ADORA1 ADORA3 1/4885TMIGD3 3740/4885ADORA2A 4/4885

“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.

Send feedback