SCHEMBL4451109

SCHEMBL4451109

CCCC(CCOC(N)=O)N(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.59
CHRNA4 P43681 5/20 0.59
CHRNB4 P30926 3/20 0.59
CHRNA3 P32297 3/20 0.59
ALOX15 P16050 1/20 0.40
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
LMNA P02545 1/20 0.38
HTR1A P08908 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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 SCHEMBL27562314 0.98 CHRNB2 (0.58) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL11149853 0.84 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL11145420 0.82 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
Bromide SCHEMBL3623040 0.76 TSHR (0.51) CHRNB2CHRNA4CHRNB4CHRNA3TSHR
SCHEMBL3361400 0.72 TSHR (0.32) CHRM1CHRM3TSHRTDP1
SCHEMBL41800 0.70
Hydrochloric Acid SCHEMBL30591305 0.70 TSHR (0.30) TSHR
SCHEMBL224100 0.69
SCHEMBL12468774 0.68 CHRNB2 (0.52) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15
SCHEMBL222762 0.68 CHRNB2 (0.57) CHRNB2CHRNA4CHRNB4CHRNA3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090081174-A1 Synergistic fungicidal compositions ISAGRO S.P.A. (IT) 2009-03-26 US claimed
EP-1912506-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.p.A. (IT) 2008-04-23 EP claimed
EP-1890545-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2008-02-27 EP claimed
WO-2007017220-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.P.A. (IT) 2007-02-15 WO claimed
WO-2006128677-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2006-12-07 WO claimed
EP-1565057-A2 FUNGICIDAL COMPOSITIONS CONTAINING AT LEAST ONE SALT OF PHOSPHOROUS ACID AND AT LEAST A SECOND FUNGICIDAL COMPONENT ISAGRO S.p.A. (IT) 2005-08-24 EP claimed
CN-1507433-A Process for the preparation of alkyl-N-(3-dimethylamino) alkylcarbamates �ݶ�ũ�����޹�˾ 2004-06-23 CN claimed
WO-2004047540-A2 FUNGICIDAL COMPOSITIONS CONTAINING AT LEAST ONE SALT OF PHOSPHOROUS ACID AND AT LEAST A SECOND FUNGICIDAL COMPONENT ISAGRO S.P.A. (IT) 2004-06-10 WO claimed
EP-1976826-A2 ORGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTOPATHOGENS ISAGRO S.p.A. (IT) 2008-10-08 EP disclosed
WO-2008114304-A2 COMPOSITIONS, METHOD AND USE OF COMPOUNDS MADE UP OF MICROORGANISMS FOR CONTROLLING PHYTOPATOGENIC AND/OR MYCOTOXIGENIC FUNGI AND LIMITING MYCOTOXIN LEVELS UNIVERSITA DEGLI STUDI DEL MOLISE (IT) 2008-09-25 WO disclosed
EP-1912506-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.p.A. (IT) 2008-04-23 EP disclosed
EP-1890545-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.p.A. (IT) 2008-02-27 EP disclosed
WO-2007071428-A2 ORAGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTO PATHOGENS ISAGRO S.P.A. (IT) 2007-06-28 WO disclosed
WO-2007017220-A2 SYNERGISTIC MIXTURES AND/OR COMPOSITIONS WITH A HIGH FUNGICIDAL ACTIVITY ISAGRO S.P.A. (IT) 2007-02-15 WO disclosed
WO-2006128677-A2 SYNERGISTIC FUNGICIDAL COMPOSITIONS ISAGRO S.P.A. (IT) 2006-12-07 WO disclosed
CN-1246305-C Process for the preparation of alkyl-N-(3-dimethylamino) alkylcarbamates BAYER AGROSCIENCE GMBH (DE) 2006-03-22 CN disclosed
CN-1507433-A Process for the preparation of alkyl-N-(3-dimethylamino) alkylcarbamates �ݶ�ũ�����޹�˾ 2004-06-23 CN 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-20090081174-A1 Synergistic fungicidal compositions PPM1F, PPM1A, PPM1G CHRNB2 4776/4885CHRNA4 4827/4885CHRNB4 4840/4885

“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.