SCHEMBL357524

SCHEMBL357524

CC1CCC(=O)N1CCN(C)C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.57
CHRM4 P08173 4/20 0.57
CHRM5 P08912 4/20 0.57
CHRM1 P11229 4/20 0.57
CHRM3 P20309 4/20 0.57
PER2 O15055 7/20 0.38
KDM4E B2RXH2 1/20 0.37
CRY2 Q49AN0 1/20 0.35
DAO P14920 1/20 0.33

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
SCHEMBL13293935 0.82 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8282939 0.81 CHRM2 (0.60) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4330615 0.79 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7621988 0.77 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4338414 0.77 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5331770 0.77 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL29286050 0.76 ACE (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1869119 0.76 MEN1 (0.48) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7643090 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4681916 0.74 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9518189-B2 Binder solutions THE CHEMOURS COMPANY FC, LLC (US) 2016-12-13 US disclosed
US-20140378584-A1 BINDER SOLUTIONS THE CHEMOURS COMPANY FC, LLC 2014-12-25 US disclosed
EP-2802634-A1 BINDER SOLUTIONS E. I. Du Pont de Nemours and Company (US) 2014-11-19 EP disclosed
US-8721770-B2 Carbon dioxide removal and ionic liquid compounds useful therein E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-8721770-B2 Carbon dioxide removal and ionic liquid compounds useful therein E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
US-8721770-B2 Carbon dioxide removal and ionic liquid compounds useful therein E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-13 US disclosed
WO-2013106421-A1 BINDER SOLUTIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-07-18 WO disclosed
US-8350056-B2 Functionalized N-substituted pyrrolidonium ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-8350056-B2 Functionalized N-substituted pyrrolidonium ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-8350056-B2 Functionalized N-substituted pyrrolidonium ionic liquids E I DU PONT DE NEMOURS AND COMPANY (US) 2013-01-08 US disclosed
US-7314962-B2 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS & CO. (US) 2008-01-01 US disclosed
US-20070123737-A1 Preparation of polytrimethylene ether glycol and copolymers thereof E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-31 US disclosed
WO-2007050490-A2 OLEFIN ISOMERIZATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-05-03 WO disclosed
US-20070100192-A1 Olefin isomerization E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US disclosed
WO-2007038362-A1 PREPARATION OF POLYTRIMETHYLENE ETHER GLYCOL AND COPOLYMERS THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-04-05 WO disclosed
US-20070066853-A1 Preparation of poly(tetramethylene) glycol E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-22 US disclosed
US-20070066834-A1 Ionic liquids E. I. DU PONT DE NEMOURS AND COMPANY 2007-03-22 US disclosed
US-7157588-B2 Ionic liquids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-01-02 US disclosed
US-20060235230-A1 Based on an N-substituted pyrrolidinone having a pendant ammonium cation that is separated from the pyrrolidone ring by a variable length alkyl spacer; use as solvents, catalysts; can be readily prepared from levulinic acid or derivatives obtained from the hydrolysis of inexpensive biomass feedstock THE CHEMOURS COMPANY FC, LLC 2006-10-19 US disclosed
US-20060235249-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2006-10-19 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 (6 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-20070066853-A1 Preparation of poly(tetramethylene) glycol PARG, PUF60, TPR CHRM2 4672/4885CHRM4 4575/4885CHRM5 3941/4885
US-20070066834-A1 Ionic liquids NUP205, PML, AQP4 CHRM2 4192/4885CHRM4 4264/4885CHRM5 3308/4885
US-20070123737-A1 Preparation of polytrimethylene ether glycol and copolymers thereof PARG, PTGES3, PGD CHRM2 3146/4885CHRM4 3594/4885CHRM5 3264/4885
US-20060235249-A1 Alkylation of aromatic compounds TYR, ALK, AHR CHRM2 1525/4885CHRM4 752/4885CHRM5 941/4885
US-20060235230-A1 Based on an N-substituted pyrrolidinone having a pendant ammonium cation that is separated from the pyrrolidone ring by a variable length alkyl spacer; use as solvents, catalysts; can be readily prepared from levulinic acid or derivatives obtained from the hydrolysis of inexpensive biomass feedstock ALAD, ASS1, ADSL CHRM2 3911/4885CHRM4 4063/4885CHRM5 2812/4885
US-20070100192-A1 Olefin isomerization OSBP, OXER1, OSBPL3 CHRM2 3157/4885CHRM4 2323/4885CHRM5 3238/4885

“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.