SCHEMBL5040462

SCHEMBL5040462

O=C1Cc2cc(O)ccc2CCN1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.55
DRD4 P21917 5/20 0.55
DRD1 P21728 7/20 0.51
DRD3 P35462 7/20 0.46
DRD5 P21918 6/20 0.46
PARP10 Q53GL7 4/20 0.45
PARP1 P09874 3/20 0.45
PBRM1 Q86U86 1/20 0.42
TDP2 O95551 3/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRKCI P41743 1/20 0.40
PARP11 Q9NR21 1/20 0.38

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
SCHEMBL30468509 1.00 DRD2 (0.55) DRD2DRD4DRD1DRD3DRD5
SCHEMBL5048666 0.93 DRD2 (0.56) DRD2DRD4DRD1DRD3DRD5
SCHEMBL5334289 0.82 PARP10 (0.57) PARP10PARP1TDP2F7F3
SCHEMBL2061785 0.79 CA9 (0.46) PARP10PARP1TDP2F7F3
SCHEMBL12151268 0.79 PARP10 (0.57) PARP10PARP1F7F3PARP11
SCHEMBL30468395 0.79 CA9 (0.46) PARP10PARP1TDP2F7F3
SCHEMBL23561875 0.78 TDP2 (0.44) DRD2DRD4DRD1DRD3DRD5
SCHEMBL22469630 0.75 PARP10 (0.57) PARP10PARP1TDP2F7F3
SCHEMBL2061125 0.75 PARP10 (0.53) DRD2DRD4DRD1DRD3DRD5
SCHEMBL1956261 0.75 PARP11 (0.39) PARP10PARP1F7F3PARP11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
EP-2010289-B1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA NV (BE) 2011-11-30 EP disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
WO-2007121432-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
US-20070117791-A1 Bicyclic compounds JOLIDON SYNESE 2007-05-24 US disclosed
US-7173023-B2 Bicyclic compounds HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
EP-1680127-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US disclosed
WO-2005039591-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 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 (3 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-20050107360-A1 Bicyclic compounds MAOB, MAOA, XDH DRD2 71/4885DRD4 139/4885DRD1 182/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH DRD2 71/4885DRD4 150/4885DRD1 179/4885
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA DRD2 1450/4885DRD4 1512/4885DRD1 756/4885

“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.