SCHEMBL273407

SCHEMBL273407

CC(C)(C)OC(=O)N1C[C@H]1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.59
NR1H3 Q13133 2/20 0.59
ABCB1 P08183 3/20 0.56
DPP4 P27487 1/20 0.51
HDAC1 Q13547 1/20 0.50
KLK7 P49862 2/20 0.48
ABHD6 Q9BV23 1/20 0.48
DAGLA Q9Y4D2 1/20 0.48
KLK5 Q9Y337 1/20 0.47
PARP1 P09874 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
STS P08842 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GPR119 Q8TDV5 1/20 0.44
CETP P11597 1/20 0.44

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
SCHEMBL5637318 1.00 NR1H2 (0.59) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL271604 1.00 NR1H2 (0.59) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL13323340 0.92 PARP1 (0.54) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL26967075 0.91 NR1H2 (0.53) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL14457265 0.89 NR1H2 (0.51) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL14457264 0.89 NR1H2 (0.51) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL16080305 0.89 NR1H2 (0.51) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL18936258 0.88 NR1H2 (0.50) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL18935776 0.88 NR1H2 (0.50) NR1H2NR1H3ABCB1DPP4HDAC1
SCHEMBL28334140 0.87 NR1H2 (0.56) NR1H2NR1H3ABCB1DPP4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741938-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2014-06-03 US disclosed
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBVIE INC (US) 2013-11-28 US disclosed
US-8524753-B2 Compounds that are useful for improving pharmacokinetics ABBVIE INC. (US) 2013-09-03 US disclosed
US-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2012-07-19 US disclosed
US-8133892-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES (US) 2012-03-13 US disclosed
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2010-11-04 US disclosed
US-7786153-B2 Compounds that are useful for improving pharmacokinetics ABBOTT LABORATORIES INC. (US) 2010-08-31 US disclosed
EP-1993820-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS Abbott Laboratories (US) 2008-11-26 EP disclosed
WO-2007103670-A2 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS ABBOTT LABORATORIES (US) 2007-09-13 WO disclosed
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics ABBVIE INC. 2006-09-07 US 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 (4 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-20120184559-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 NR1H2 233/4885NR1H3 211/4885ABCB1 79/4885
US-20060199851-A1 Novel compounds that are useful for improving pharmacokinetics CYP11B1, CYP11B2, CYP7A1 NR1H2 233/4885NR1H3 211/4885ABCB1 79/4885
US-20100280248-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 NR1H2 233/4885NR1H3 211/4885ABCB1 79/4885
US-20130317071-A1 NOVEL COMPOUNDS THAT ARE USEFUL FOR IMPROVING PHARMACOKINETICS CYP11B1, CYP11B2, CYP7A1 NR1H2 233/4885NR1H3 211/4885ABCB1 79/4885

“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.