SCHEMBL968337

SCHEMBL968337

CC[N]C(=O)OC(C)CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30

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
SCHEMBL8383425 0.83 MAPT (0.32) MAPT
SCHEMBL969918 0.81
SCHEMBL966927 0.79
SCHEMBL8385449 0.77 MAPT (0.33) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL18698893 0.76 TSHR (0.37) MAPTTSHR
SCHEMBL969259 0.74
SCHEMBL5640470 0.72 CA12 (0.31) MAPT
SCHEMBL5640841 0.72 CA12 (0.31) MAPT
SCHEMBL25380452 0.72 MAPT (0.38) MAPTTSHRCHRM2CHRM4CHRM1
SCHEMBL25382868 0.72 MAPT (0.38) MAPTTSHRCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312200-B2 9-ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2007-12-25 US claimed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US claimed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP claimed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO claimed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
EP-2128139-B1 FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2013-08-07 EP disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-8344156-B2 Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative MITSUI CHEMICALS AGRO, INC. (JP) 2013-01-01 US disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-8163770-B2 Benzoxathiin derivative MSD. K. K. (JP) 2012-04-24 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
US-20060128642-A1 9-Ketospinosyn derivatives BAYER CROPSCIENCE AG (DE) 2006-06-15 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 EP disclosed
EP-1590358-A1 9-KETOSPINOSYN DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2005-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
WO-2004065402-A1 9-KETOSPINOSYN DERIVATIVES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 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 (3 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-20060128642-A1 9-Ketospinosyn derivatives SNX9, NANS, BROX MAPT 3278/4885TSHR 3417/4885CHRM2 4433/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 MAPT 3669/4885TSHR 227/4885CHRM2 89/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 MAPT 3841/4885TSHR 226/4885CHRM2 94/4885

“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.