SCHEMBL5048666

SCHEMBL5048666

O=C1Cc2ccc(O)cc2CCN1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.56
DRD1 P21728 10/20 0.56
DRD4 P21917 7/20 0.55
DRD5 P21918 8/20 0.50
DRD3 P35462 8/20 0.50
PARP1 P09874 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PBRM1 Q86U86 1/20 0.42
TDP2 O95551 1/20 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
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
OPRK1 P41145 1/20 0.39

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 0.93 DRD2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5040462 0.93 DRD2 (0.55) DRD2DRD1DRD4DRD5DRD3
SCHEMBL22469630 0.82 PARP10 (0.57) PARP1PARP10TDP2F7F3
SCHEMBL23561875 0.81 TDP2 (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL1264716 0.80 PARP10 (0.59) PARP1PARP10TDP2F7F3
SCHEMBL2061223 0.79 CA9 (0.46) PARP1PARP10TDP2F7F3
SCHEMBL29051697 0.78 ALDH1A1 (0.54) PARP1PARP10TDP2
SCHEMBL5334289 0.75 PARP10 (0.57) PARP1PARP10TDP2F7F3
SCHEMBL2061125 0.75 PARP10 (0.53) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5044544 0.75 DRD2 (0.53) DRD2DRD1DRD4DRD5DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594669-B Parallel ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2024-11-05 CN disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors ASCENEURON SA (CH) 2023-10-24 US disclosed
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-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-01 US disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
WO-2020039028-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 WO disclosed
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 71/4885DRD1 182/4885DRD4 139/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH DRD2 71/4885DRD1 179/4885DRD4 150/4885
US-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE DRD2 1589/4885DRD1 2004/4885DRD4 1956/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE DRD2 1589/4885DRD1 2004/4885DRD4 1956/4885

“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.