SCHEMBL227544

SCHEMBL227544

COc1ccc2c(c1)CC(=O)NCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
DRD2 P14416 6/20 0.48
DRD3 P35462 6/20 0.48
DRD1 P21728 5/20 0.48
DRD5 P21918 5/20 0.48
METAP1 P53582 2/20 0.47
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
DRD4 P21917 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
TDP2 O95551 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
GRM5 P41594 1/20 0.42

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
SCHEMBL30468429 1.00 GAA (0.50) GAADRD2DRD3DRD1DRD5
SCHEMBL5044544 0.94 DRD2 (0.53) GAADRD2DRD3DRD1DRD5
SCHEMBL13506283 0.83 PDE3B (0.55) GAADRD2DRD3DRD1DRD5
SCHEMBL24795 0.78 CYP3A4 (0.52) GAADRD1DRD5DRD4HTR2C
SCHEMBL12151268 0.78 PARP10 (0.57) GAAMETAP1MTNR1AMTNR1BKDM4E
SCHEMBL29051886 0.78 DRD2 (0.43) DRD2DRD3DRD4HTR2C
Hydrochloric Acid SCHEMBL30081995 0.77 CYP3A4 (0.50) GAADRD1DRD5DRD4HTR2C
SCHEMBL3150173 0.77 HTR2C (0.54) DRD2DRD3DRD1DRD5METAP1
SCHEMBL43307 0.76 METAP1 (0.53) DRD2DRD3DRD1DRD5METAP1
SCHEMBL29940518 0.76 METAP1 (0.53) DRD2DRD3DRD1DRD5METAP1

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
EP-0146787-B1 INDOLE DERIVATIVES, MEDICAMENTS CONTAINING THESE COMPOUNDS, AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1988-08-17 EP disclosed
US-4737495-A ANTIALLERGENS, ANTISCHEMIC, HYPOTENSIVE AGENTS DR. KARL TOMAE, GMBH (DE) 1988-04-12 US disclosed
EP-0229510-A1 Sulfinyl and sulfonyl substituted-3-benzazepines SMITHKLINE BEECHAM CORPORATION (US) 1987-07-22 EP disclosed
EP-0204349-A2 Heteroaromatic amine derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-12-10 EP disclosed
US-4616011-A BRADYCARDIAL AND ANTIISCHEMIC AGENTS; CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1986-10-07 US disclosed
US-4584293-A LOWER HEART RATE AND OXYGEN REQUIREMENT DR. KARL THOMAE GMBH (DE) 1986-04-22 US disclosed
EP-0161604-A2 Aminotetralin derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-11-21 EP disclosed
EP-0146787-A2 Indole derivatives, medicaments containing these compounds, and process for their preparation Dr. Karl Thomae GmbH (DE) 1985-07-03 EP disclosed
US-4490369-A HYPOTENSIVE, BRRADYCARDIAL DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-12-25 US disclosed
EP-0109636-A2 Benzazepine derivatives, process for their preparation and their use as pharmaceutical compounds Dr. Karl Thomae GmbH (DE) 1984-05-30 EP 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-20220380358-A1 TETRAHYDRO-BENZOAZEPINE GLYCOSIDASE INHIBITORS BACE1, BACE2, BCHE GAA 6/4885DRD2 1589/4885DRD3 1089/4885
US-11795165-B2 Tetrahydro-benzoazepine glycosidase inhibitors BACE1, BACE2, BCHE GAA 6/4885DRD2 1589/4885DRD3 1089/4885

“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.