SCHEMBL8614663

SCHEMBL8614663

CCC(C)OC(=O)N(C)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 2/20 0.49
MAPT P10636 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.42
TSHR P16473 2/20 0.41
GLA P06280 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
SCHEMBL5696776 0.85 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL5803244 0.85 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL3507290 0.82 LMNA (0.58) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL10843851 0.80 MAPT (0.43) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27692422 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27560334 0.78 CTSK (0.55) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL27701669 0.76 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
Valeric Acid SCHEMBL28335645 0.76 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL28055932 0.76 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A
SCHEMBL442790 0.75 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113873884-B Arthropod control composition 弗门尼舍有限公司 2024-06-14 CN disclosed
US-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION 2021-11-18 US disclosed
WO-2020210750-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2020-10-15 WO disclosed
CN-102316727-B Agricultural compositions COGNIS IP MAN GMBH 2014-06-04 CN disclosed
CN-102349507-B Pymetrozine-containing ultralow volume liquid agent GUANGXI TIANYUAN BIOCHEMISTRY 2013-09-11 CN disclosed
CN-103053564-A Composite insecticidal composition containing flonicamid and sec-butyl phenyl-N-methyl carbamate and application thereof NANJING HUAZHOU PHARMACEUTICAL 2013-04-24 CN disclosed
CN-103053564-A Composite insecticidal composition containing flonicamid and sec-butyl phenyl-N-methyl carbamate and application thereof NANJING HUAZHOU PHARMACEUTICAL 2013-04-24 CN disclosed
CN-102970866-A Biocide compositions comprising alkoxylated oligoglycerides COGNIS IP MAN GMBH 2013-03-13 CN disclosed
CN-102892294-A Biocide compositions comprising glycerol(ether)phosphates COGNIS IP MAN GMBH 2013-01-23 CN disclosed
CN-102001968-B New method for preventing sec-butyl phenyl-N-methyl carbamate from decomposing HUNAN GOFAR FINE CHEMICAL INDUSTRY TECHNOLOGY CO LTD 2012-11-07 CN disclosed
CN-102001968-B New method for preventing sec-butyl phenyl-N-methyl carbamate from decomposing HUNAN GOFAR FINE CHEMICAL INDUSTRY TECHNOLOGY CO LTD 2012-11-07 CN disclosed
CN-102469777-A Agricultural compositions COGNIS IP MAN GMBH 2012-05-23 CN disclosed
CN-102349507-A Pymetrozine-containing ultralow volume liquid agent GUANGXI TIANYUAN BIOCHEMISTRY 2012-02-15 CN disclosed
CN-102316727-A Agricultural compositions COGNIS IP MAN GMBH 2012-01-11 CN disclosed
CN-102316724-A Oil-based agrochemical compositions with increased viscosity COGNIS IP MAN GMBH 2012-01-11 CN disclosed
CN-102001968-A New method for preventing sec-butyl phenyl-N-methyl carbamate from decomposing HUNAN GOFAR FINE CHEMICAL INDUSTRY TECHNOLOGY CO LTD 2011-04-06 CN disclosed
CN-102001968-A New method for preventing sec-butyl phenyl-N-methyl carbamate from decomposing HUNAN GOFAR FINE CHEMICAL INDUSTRY TECHNOLOGY CO LTD 2011-04-06 CN disclosed
EP-0643037-B1 Ester compound, active agent for controlling noxious insect pests containing the same as active ingredient, intermediate for production of the ester compound, and process for producing the intermediate SUMITOMO CHEMICAL CO (JP) 1998-05-06 EP disclosed
US-4267280-A Controlled release pesticides and method of preparation HOPKINS, MADISON WISCONSIN A CORP OF WISCONSIN 1981-05-12 US disclosed
US-4225693-A CONTROLLED RELEASE HOPKINS AGRICULTURAL CHEMICAL COMPANY 1980-09-30 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 (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-20210352892-A1 MACROMOLECULAR AND NONPARTICULATE AGROCHEMICALS TO REDUCE VAPOR DRIFT ACP1, PTMS, VDAC1 CHRNB2 3944/4885CHRNB4 4131/4885CHRNA3 3336/4885

“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.