SCHEMBL104890

SCHEMBL104890

CCN(CC)[C@H](C)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
KCNH2 Q12809 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FDPS P14324 1/20 0.36
CACNA2D1 P54289 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 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
SCHEMBL103177 1.00 PGR (0.39) PGRADRA2AADRA2BHTR2AHRH1
Bromide SCHEMBL28248943 0.98 PGR (0.38) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL13324872 0.80 CACNA2D1 (0.40) PGRSLC22A6TDP1CACNA2D1CACNB3
SCHEMBL21224691 0.78 SLC22A6 (0.36) PGRADRA2ASLC22A6TDP1CACNA2D1
SCHEMBL29953499 0.78 SLC22A6 (0.36) PGRSLC22A6FFAR3TDP1CACNA2D1
SCHEMBL7608599 0.78 TET2 (0.43) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL27710917 0.78 PGR (0.35) PGRADRA2AADRA2BHTR2AHRH1
Hydrochloric Acid SCHEMBL27858240 0.78 PGR (0.33) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL17773052 0.77 SLC22A6 (0.39) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL17773054 0.76 PGR (0.41) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748659-B2 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US claimed
EP-2664610-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP claimed
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US claimed
EP-2426103-A1 METHOD FOR PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE Idemitsu Kosan Co., Ltd. (JP) 2012-03-07 EP claimed
US-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2015-08-13 US disclosed
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2014-08-21 US disclosed
US-8748659-B2 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide IDEMITSU KOSAN CO., LTD. (JP) 2014-06-10 US disclosed
EP-2664611-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
EP-2664610-A1 Method for producing alpha,beta-unsaturated carboxylic acid-N,N-disubstituted amide and method for producing 3-alkoxycarboxylic acid-N,N-disubstituted amide Idemitsu Kosan Co., Ltd (JP) 2013-11-20 EP disclosed
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE IDEMITSU KOSAN CO., LTD. (JP) 2012-04-12 US disclosed
EP-2426103-A1 METHOD FOR PRODUCING ALPHA, BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE Idemitsu Kosan Co., Ltd. (JP) 2012-03-07 EP 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-20150225332-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH PGR 4352/4885ADRA2A 1247/4885ADRA2B 2161/4885
US-20140235894-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH PGR 4352/4885ADRA2A 1247/4885ADRA2B 2161/4885
US-20120088931-A1 METHOD FOR PRODUCING ALPHA,BETA-UNSATURATED CARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE AND METHOD FOR PRODUCING 3-ALKOXYCARBOXYLIC ACID-N,N-DISUBSTITUTED AMIDE FASN, NAAA, FAAH PGR 4352/4885ADRA2A 1247/4885ADRA2B 2161/4885

“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.