SCHEMBL3745682

SCHEMBL3745682

CC(C)(C)OC(=O)N1CC(F)(F)CC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
BCHE P06276 1/20 0.33
NR1H2 P55055 1/20 0.33
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DDB1 Q16531 3/20 0.32
CRBN Q96SW2 3/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL1260866 0.84 KDM1A (0.35) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL3734226 0.81 BUB1 (0.43) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL24569354 0.80 KDM1A (0.39) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL27152414 0.80 CHRM2 (0.36) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL25238948 0.78 KDM1A (0.38) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL3733841 0.78 KDM1A (0.38) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL3738819 0.76 USP2 (0.38) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL15931188 0.76 USP2 (0.38) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL3078624 0.76 BUB1 (0.37) BUB1CHRM2CHRM1CHRM3USP2
SCHEMBL3738794 0.76 HDAC8 (0.36) BUB1CHRM2CHRM1CHRM3USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072542-B ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
WO-2021139595-A1 RORγT INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 东莞市东阳光新药研发有限公司 2021-07-15 WO disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed
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 2105/4885CHRM2 1573/4885CHRM1 622/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 BUB1 2105/4885CHRM2 1573/4885CHRM1 622/4885

“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.