SCHEMBL4176419

SCHEMBL4176419

CC(C)OC(=O)n1ccc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.51
TSHR P16473 1/20 0.51
RAB9A P51151 1/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
BCHE P06276 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
P2RX4 Q99571 1/20 0.43
MAPK1 P28482 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL7171272 0.84 NOTUM (0.53) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL30488374 0.82 NOTUM (0.47) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL1173678 0.81 NOTUM (0.65) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL30711215 0.81 NOTUM (0.65) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL4467291 0.79 NOTUM (0.61) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL30109103 0.78 NOTUM (0.61) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL600415 0.78 NOTUM (0.61) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL18990344 0.77 NOTUM (0.59) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL18990269 0.77 NOTUM (0.59) NOTUML3MBTL1TSHRRAB9AHTR3E
SCHEMBL691666 0.77 NOTUM (0.59) NOTUML3MBTL1TSHRRAB9AHTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632956-B2 Fragrance ingredients, applications, compositions and methods GIVAUDAN SA (CH) 2009-12-15 US claimed
US-20090036690-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2009-02-05 US claimed
EP-1799797-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-05-14 EP claimed
EP-1799797-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2007-06-27 EP claimed
WO-2006039822-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2006-04-20 WO claimed
JP-2002540192-A 2002-11-26 JP claimed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP claimed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 WO claimed
CN-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed
CN-108530335-A A kind of Benzazole compounds and its preparation method and application 华南农业大学 2018-09-14 CN disclosed
US-7632956-B2 Fragrance ingredients, applications, compositions and methods GIVAUDAN SA (CH) 2009-12-15 US disclosed
US-7632956-B2 Fragrance ingredients, applications, compositions and methods GIVAUDAN SA (CH) 2009-12-15 US disclosed
US-7632956-B2 Fragrance ingredients, applications, compositions and methods GIVAUDAN SA (CH) 2009-12-15 US disclosed
CN-101374842-A Azepinoindole derivatives as pharmaceutical agents EXELIXIS INC (US) 2009-02-25 CN disclosed
EP-1799797-B1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-05-14 EP disclosed
EP-1799797-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2007-06-27 EP disclosed
WO-2006039822-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2006-04-20 WO disclosed
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 US disclosed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 EP disclosed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 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 (1 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-20090036690-A1 ORGANIC COMPOUNDS TRPA1, IDO1, INMT NOTUM 68/4885L3MBTL1 2651/4885TSHR 3438/4885

“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.