SCHEMBL3738909

SCHEMBL3738909

CO/N=C1\CC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
BUB1 O43683 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR1H2 P55055 2/20 0.32
ELANE P08246 1/20 0.31
CHRM4 P08173 1/20 0.31
DRD2 P14416 1/20 0.31
HTR7 P34969 1/20 0.31
ESR2 Q92731 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SETD7 Q8WTS6 1/20 0.30
KDM1A O60341 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
SCHEMBL3738912 1.00 HDAC1 (0.36) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL31218507 0.79 CHRM2 (0.44) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL4796997 0.77 CHRM2 (0.43) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL4185350 0.77 USP2 (0.43) HDAC1USP2SMN1; SMN2NR1H2ESR2
SCHEMBL3738925 0.76 CHRM2 (0.40) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL9836086 0.72 ESR2 (0.48) USP2SMN1; SMN2NR1H2ESR2KDM4E
SCHEMBL6519434 0.72 CHRNA7 (0.36) HDAC1HDAC6CHRM2CHRM1CHRM3
SCHEMBL9836089 0.72 ESR2 (0.48) USP2SMN1; SMN2NR1H2ESR2KDM4E
SCHEMBL3314000 0.71 USP2 (0.49) USP2SMN1; SMN2NR1H2ESR2KDM4E
SCHEMBL25566644 0.71 HDAC1 (0.41) HDAC1HDAC6SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242285-B2 N-tert-butoxycarbonyl-2-pyrrolidinones and production method thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-04 US disclosed
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-25 US disclosed
EP-2008999-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PROCESS FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2008-12-31 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 (2 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-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 HDAC1 693/4885HDAC6 2669/4885CHRM2 1573/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 HDAC1 693/4885HDAC6 2669/4885CHRM2 1573/4885

“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.