SCHEMBL22033744

SCHEMBL22033744

O=C(OC[C@H]1O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 6/20 0.55
▸ ADORA3 P0DMS8 3/20 0.55
▸ ADORA2A P29274 2/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ TMEM97 Q5BJF2 2/20 0.55
▸ SIGMAR1 Q99720 2/20 0.55
▸ TSPO P30536 1/20 0.55
▸ P2RX3 P56373 1/20 0.52
▸ P2RX4 Q99571 1/20 0.52
▸ P2RX2 Q9UBL9 1/20 0.52
▸ PRKAB2 O43741 1/20 0.49
▸ PRKAG1 P54619 1/20 0.49
▸ PRKAA2 P54646 1/20 0.49
▸ PRKAA1 Q13131 1/20 0.49
▸ PRKAG3 Q9UGI9 1/20 0.49
▸ PRKAG2 Q9UGJ0 1/20 0.49
▸ PRKAB1 Q9Y478 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ MEN1 O00255 1/20 0.46

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
SCHEMBL10689750 0.85 ADORA2A (0.59) ADORA1ADORA3ADORA2AP2RX3P2RX4
SCHEMBL22983997 0.85 P2RX3 (0.59) P2RX3P2RX4P2RX2PRKAB2PRKAG1
SCHEMBL5982554 0.81 PRMT6 (0.62) P2RX3P2RX4P2RX2PRKAB2PRKAG1
SCHEMBL9002261 0.81 P2RX3 (0.60) P2RX3P2RX4P2RX2PRKAB2PRKAG1
SCHEMBL13169185 0.81 P2RX3 (0.75) P2RX3P2RX4P2RX2LMNAMEN1
SCHEMBL9002254 0.81 P2RX3 (0.60) P2RX3P2RX4P2RX2PRKAB2PRKAG1
SCHEMBL9141432 0.81 P2RX3 (0.60) P2RX3P2RX4P2RX2PRKAB2PRKAG1
SCHEMBL12352429 0.81 P2RX3 (0.75) P2RX3P2RX4P2RX2LMNAMEN1
SCHEMBL9189337 0.81 P2RX3 (0.75) P2RX3P2RX4P2RX2LMNAMEN1
SCHEMBL12243789 0.81 P2RX3 (0.75) P2RX3P2RX4P2RX2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378248-B2 A1 adenosine receptor agonists and methods of use thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2025-08-05 — — US disclosed
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-01-27 — — US disclosed
WO-2020118139-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-06-11 — — 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-12378248-B2 A1 adenosine receptor agonists and methods of use thereof ADORA1, ADORA2A, ADORA2B ADORA1 1/4885ADORA3 4/4885ADORA2A 2/4885
US-20220024926-A1 A1 ADENOSINE RECEPTOR AGONISTS AND METHODS OF USE THEREOF ADORA1, ADORA2A, ADORA2B ADORA1 1/4885ADORA3 4/4885ADORA2A 2/4885

“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.

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