SCHEMBL893413

SCHEMBL893413

CC(C)(C)OC(=O)NN(Cc1ccc(-c2ccccn2)cc1)CC(O)C(Cc1ccccc1)NC(=O)OCc1cncs1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT1A1 P22309 2/20 0.59
MLNR O43193 1/20 0.59
NR1I2 O75469 1/20 0.59
SLCO2B1 O94956 1/20 0.59
ABCB11 O95342 1/20 0.59
ABCB1 P08183 1/20 0.59
CCKAR P32238 1/20 0.59
OPRK1 P41145 1/20 0.59
GHSR Q92847 1/20 0.59
SLCO1B3 Q9NPD5 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
SLCO1B1 Q9Y6L6 1/20 0.59
CYP3A4 P08684 18/20 0.52

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
SCHEMBL893408 1.00 UGT1A1 (0.59) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL4402378 0.92 MLNR (0.57) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8328915 0.91 CYP3A4 (0.57) CYP3A4
SCHEMBL8330371 0.90 CYP3A4 (0.55) CYP3A4
SCHEMBL893599 0.90 UGT1A1 (0.67) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8224259 0.88 UGT1A1 (0.66) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL1300966 0.87 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL30018952 0.87 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL8162986 0.87 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL2175950 0.87 UGT1A1 (0.71) UGT1A1MLNRNR1I2SLCO2B1ABCB11

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-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBVIE INC. (US) 2014-08-28 US disclosed
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2013-05-23 US disclosed
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-12-06 US disclosed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
EP-2465855-A1 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2012-04-05 US disclosed
EP-2081917-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF Abbott Laboratories (US) 2009-07-29 EP disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
WO-2008027932-A2 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2008-03-06 WO 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 (5 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-20120083490-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR UGT1A1 35/4885MLNR 1233/4885NR1I2 327/4885
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 UGT1A1 27/4885MLNR 1424/4885NR1I2 175/4885
US-20120309762-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR UGT1A1 35/4885MLNR 1233/4885NR1I2 327/4885
US-20130131085-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR UGT1A1 35/4885MLNR 1233/4885NR1I2 327/4885
US-20140243340-A1 CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF CYP3A43, CYP3A5, POR UGT1A1 35/4885MLNR 1233/4885NR1I2 327/4885

“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.