SCHEMBL3736062

SCHEMBL3736062

CCCC1(C)CC(=O)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.36
HDAC1 Q13547 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
KDM1A O60341 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
NR1H2 P55055 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
CTSK P43235 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GLA P06280 1/20 0.30
DTYMK P23919 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
SCHEMBL3734226 0.79 BUB1 (0.43) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL3739280 0.78 HDAC1 (0.42) BUB1HDAC1HDAC6KDM1A
SCHEMBL23231030 0.75 USP2 (0.42) DDB1CRBNSPHK1NR1H2CTSK
SCHEMBL3745682 0.74 BUB1 (0.37) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL24569354 0.74 KDM1A (0.39) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL25238948 0.72 KDM1A (0.38) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL3733841 0.72 KDM1A (0.38) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL17438524 0.71 KDM1A (0.35) DDB1CRBNKDM1ASPHK1
SCHEMBL24365137 0.71 BUB1 (0.40) BUB1HDAC1HDAC6DDB1CRBN
SCHEMBL17725945 0.71 NR1H2 (0.38) BUB1HDAC1HDAC6DDB1CRBN

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 BUB1 2105/4885HDAC1 693/4885HDAC6 2669/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 BUB1 2105/4885HDAC1 693/4885HDAC6 2669/4885

“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.