SCHEMBL8030818

SCHEMBL8030818

C=CCN1CCc2nc(N)oc2CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
LMNA P02545 2/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
MAPT P10636 2/20 0.52
ADRA2A P08913 2/20 0.52
ADRA2B P18089 2/20 0.52
ADRA2C P18825 2/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
OPRK1 P41145 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAD52 P43351 1/20 0.51

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
Hydrochloric Acid SCHEMBL10656025 0.98 LMNA (0.66) CYP3A4TSHRHSD17B10LMNABLM
Azepexole SCHEMBL10434847 0.78 LMNA (1.00) CYP3A4TSHRHSD17B10LMNABLM
Hydrochloric Acid SCHEMBL11074146 0.71 MAPT (0.54) CYP3A4TSHRHSD17B10LMNABLM
SCHEMBL9775977 0.69 MAPT (0.53) CYP3A4LMNAMAPTADRA2AADRA2B
Talipexole SCHEMBL49817 0.69 DRD2 (1.00) LMNAMAPTADRA2AADRA2BADRA2C
Talipexole SCHEMBL5605621 0.69 DRD2 (1.00) LMNAMAPTADRA2AADRA2BADRA2C
Talipexole SCHEMBL423325 0.68 MAPT (1.00) LMNAMAPTADRA2AADRA2BADRA2C
Talipexole SCHEMBL385161 0.68 MAPT (1.00) LMNAMAPTADRA2AADRA2BADRA2C
Talipexole SCHEMBL18203528 0.68 MAPT (1.00) LMNAMAPTADRA2AADRA2BADRA2C
Talipexole SCHEMBL678761 0.67 DRD2 (0.94) LMNAMAPTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005732-B1 Use of 2-amino-oxazolo- or 2-amino-thiazolo-[5,4-d]azepines and acid-addition salts thereof for the manufacture of a medicament for the treatment of Angina Pectoris Dr. Karl Thomae GmbH (DE) 1988-06-15 EP claimed
US-4400378-A THIAZOLO OR OXAZOLO COMPOUNDS KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-23 US claimed
US-4259342-A HYPOTENSIVE, SEDATIVE, ANTITUSSIVE, ANTIINFLAMMATORY BOEHRINGER INGELHEIM GMBH (DE) 1981-03-31 US claimed
EP-0005732-A1 Use of 2-amino-oxazolo- or 2-amino-thiazolo-[5,4-d]azepines and acid-addition salts thereof for the manufacture of a medicament for the treatment of Angina Pectoris Dr. Karl Thomae GmbH (DE) 1979-12-12 EP claimed
US-20180177874-A1 Methods of Treating Metabolic Syndrome Using Dopamine Receptor Agonists VEROSCIENCE, LLC 2018-06-28 US disclosed
US-20180177874-A1 Methods of Treating Metabolic Syndrome Using Dopamine Receptor Agonists VEROSCIENCE, LLC 2018-06-28 US disclosed
US-20080200453-A1 Administering dopamine antagonist such as bromocriptine; hypotensive agents, metabolism disorders, obesity, hypertension, hypertriglyceridemia, and insulin resistance (with or without treating obesity or endothelial dysfunction) associated with or independent from Metabolic Syndrome VEROSCIENCE, LLC 2008-08-21 US disclosed
US-20080200453-A1 Administering dopamine antagonist such as bromocriptine; hypotensive agents, metabolism disorders, obesity, hypertension, hypertriglyceridemia, and insulin resistance (with or without treating obesity or endothelial dysfunction) associated with or independent from Metabolic Syndrome VEROSCIENCE, LLC 2008-08-21 US disclosed
EP-0005732-B1 Use of 2-amino-oxazolo- or 2-amino-thiazolo-[5,4-d]azepines and acid-addition salts thereof for the manufacture of a medicament for the treatment of Angina Pectoris Dr. Karl Thomae GmbH (DE) 1988-06-15 EP disclosed
US-4400378-A THIAZOLO OR OXAZOLO COMPOUNDS KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-08-23 US disclosed
US-4259342-A HYPOTENSIVE, SEDATIVE, ANTITUSSIVE, ANTIINFLAMMATORY BOEHRINGER INGELHEIM GMBH (DE) 1981-03-31 US 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-20180177874-A1 Methods of Treating Metabolic Syndrome Using Dopamine Receptor Agonists GPR119, GLP1R, PRLHR CYP3A4 1203/4885TSHR 95/4885HSD17B10 539/4885
US-20080200453-A1 Administering dopamine antagonist such as bromocriptine; hypotensive agents, metabolism disorders, obesity, hypertension, hypertriglyceridemia, and insulin resistance (with or without treating obesity or endothelial dysfunction) associated with or independent from Metabolic Syndrome LIPG, LIPE, GPR119 CYP3A4 787/4885TSHR 150/4885HSD17B10 533/4885

“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.