SCHEMBL1663784

SCHEMBL1663784

CCOc1cc(OCC)c2c(=O)c(OCC)c(-c3ccccc3)oc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 1.00
ACE2 Q9BYF1 1/20 0.62
PPARG P37231 1/20 0.62
EGFR P00533 1/20 0.51
RET P07949 1/20 0.51
KDR P35968 1/20 0.51
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
POLH Q9Y253 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL30741225 1.00 ADORA3 (1.00) ADORA3ACE2PPARGEGFRRET
SCHEMBL31513992 0.87 ACE2 (0.81) ADORA3ACE2POLHALDH1A1MAPT
SCHEMBL1663857 0.87 ADORA3 (1.00) ADORA3ACE2PPARGEGFRRET
SCHEMBL16237121 0.86 ADORA3 (0.75) ADORA3ACE2PPARGPOLHMAPT
SCHEMBL30741223 0.86 ADORA3 (1.00) ADORA3ACE2PPARGSLC22A2SLC22A1
SCHEMBL1664122 0.86 ADORA3 (1.00) ADORA3ACE2PPARGSLC22A2SLC22A1
SCHEMBL1663902 0.83 ADORA3 (1.00) ADORA3ACE2PPARGSLC22A2SLC22A1
SCHEMBL1664326 0.82 ADORA3 (0.70) ADORA3ACE2PPARGPOLHMAPT
SCHEMBL31031155 0.82 PPARG (0.78) ADORA3PPARGMAPT
SCHEMBL31236659 0.82 ADORA3 (0.69) ADORA3ACE2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885192-B8 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-05-16 EP claimed
EP-0885192-A1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-12-23 EP claimed
WO-1997027177-A2 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-07-31 WO claimed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
EP-0885192-B8 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS US OF AMERICA REPRESENTED BY THE SECRETARY DEPT OF HEALTH AND HUMAN SERVICES (US) 2012-05-16 EP disclosed
EP-2311806-A2 Dihydropyridine-, pyridine-, benzopyranone- and triazoloquinazoline derivatives, their preparation and their use as adenosine receptor antagonists The United States of America, Represented by the Secretary, Department of Health and Human Services (US) 2011-04-20 EP disclosed
US-6066642-A FOR SELECTIVELY BLOCKING THE A3 ADENOSINE RECEPTOR OF A MAMMAL THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2000-05-23 US disclosed
EP-0885192-A1 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN- ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVE, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1998-12-23 EP disclosed
WO-1997027177-A2 DIHYDROPYRIDINE-, PYRIDINE-, BENZOPYRAN-4-ONE- AND TRIAZOLOQUINAZOLINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ADENOSINE RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-07-31 WO disclosed