SCHEMBL3733386

SCHEMBL3733386

CC(C)(C)OC(=O)N1C(=O)CCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
RORC P51449 6/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MMP13 P45452 1/20 0.38
KDM1A O60341 1/20 0.38

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
SCHEMBL13962901 0.77 TSHR (0.44) RORCTSHRALOX15ATMTACR1
SCHEMBL968202 0.76 STS (0.39) TACR1OPRD1OPRK1GPR119
SCHEMBL29202479 0.76 STS (0.39) TACR1OPRD1OPRK1GPR119
SCHEMBL968201 0.75 GPR119 (0.39) TACR1OPRD1OPRK1GPR119
SCHEMBL20456344 0.74 CHRM2 (0.37) NR1H2KDM1A
SCHEMBL3658980 0.74 BUB1 (0.38) NR1H2KDM1A
SCHEMBL30542585 0.74 RORC (0.42) RORCTSHRALOX15ATMTACR1
SCHEMBL26613588 0.74 RORC (0.42) RORCTSHRALOX15ATMTACR1
SCHEMBL631011 0.74 BUB1 (0.35) RORCGPR119NR1H2USP30
SCHEMBL311298 0.74 BUB1 (0.35) RORCGPR119NR1H2USP30

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 ALDH1A1 1515/4885RORC 3170/4885TSHR 360/4885
US-20100280259-A1 N-Tert-Butoxycarbonyl-2-Pyrrolidinones and Production Method Thereof TERT, CBR1, TELO2 ALDH1A1 1515/4885RORC 3170/4885TSHR 360/4885

“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.