SCHEMBL3731319

SCHEMBL3731319

CC(C)(C)OC(=O)N1CC2CCCC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 2/20 0.39
NR1H2 P55055 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
PREP P48147 2/20 0.36
GPR119 Q8TDV5 3/20 0.35
ELANE P08246 1/20 0.35
EPHX1 P07099 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL3735766 0.97 LIPE (0.39) LIPENR1H2PDE4APDE4BPDE4C
SCHEMBL31509818 0.91 LIPE (0.40) LIPENR1H2PDE4APDE4BPDE4C
SCHEMBL3739276 0.91 LIPE (0.40) LIPENR1H2PDE4APDE4BPDE4C
SCHEMBL22034964 0.84 PDE4A (0.46) LIPEPDE4APDE4BPDE4CPDE4D
SCHEMBL30326282 0.83 NR1H2 (0.43) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL3747007 0.83 NR1H2 (0.43) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL24510440 0.81 LIPE (0.44) LIPENR1H2HPGDGPR119EPHX1
SCHEMBL17925891 0.79 USP2 (0.38) LIPENR1H2CHRM2CHRM1CHRM3
SCHEMBL3740713 0.78 NR1H2 (0.36) LIPENR1H2PDE4APDE4BPDE4C
SCHEMBL20531880 0.78 CHRNB2 (0.38) LIPENR1H2CHRM2CHRM1CHRM3

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 6 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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-12 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-2014648-A1 PROCESS FOR PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDUCT SALT THEREOF Sumitomo Chemical Company, Limited (JP) 2009-01-14 EP 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 (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-20090281331-A1 METHOD OF PRODUCING POLYCYCLIC PROLINE DERIVATIVE OR ACID ADDITION SALT THEREOF C9, NPPA, ADH1C LIPE 4827/4885NR1H2 4250/4885PDE4A 2985/4885
US-20090163722-A1 N-TERT-BUTOXYCARBONYL-2-PYRROLIDINONES AND PRODUCTION METHOD THEREOF TERT, CBR1, TELO2 LIPE 3480/4885NR1H2 1282/4885PDE4A 4686/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 LIPE 3480/4885NR1H2 1282/4885PDE4A 4686/4885

“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.