SCHEMBL2909984

SCHEMBL2909984

CCOC(=O)C(C)(C)OC(c1ccc(C#N)cc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 12/20 0.34
CNR2 P34972 1/20 0.34
ELANE P08246 3/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL2913313 0.85 SIRT2 (0.35) SIRT2ELANE
SCHEMBL8156285 0.81 TSHR (0.37) SIRT2
SCHEMBL2917462 0.80 PTGDR2 (0.35) SIRT2
SCHEMBL8147914 0.80 FNTA (0.36) SIRT2
SCHEMBL8147915 0.80 FNTA (0.36) SIRT2
SCHEMBL8149161 0.78 MEN1 (0.38)
SCHEMBL8149160 0.78 MEN1 (0.38)
SCHEMBL2914446 0.74 HTT (0.36) SIRT2
SCHEMBL2787655 0.74 CYP19A1 (0.36)
SCHEMBL2787652 0.74 CYP19A1 (0.36)

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
US-8076327-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2011-12-13 US disclosed
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-12-02 US disclosed
US-7799780-B2 Condensed imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-2004657-B1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-09-01 EP disclosed
US-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors NOVARTIS AG (CH) 2009-01-08 US disclosed
EP-2004657-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Speedel Experimenta AG (CH) 2008-12-24 EP disclosed
WO-2007116097-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (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-20090012068-A1 Condensed Imidazole Derivatives as Aldosterone Synthase Inhibitors CYP11B1, CYP11B2, REN SIRT2 1046/4885CNR2 3967/4885ELANE 2596/4885
US-20100305110-A1 CONDENSED IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP11B2, REN SIRT2 1058/4885CNR2 3976/4885ELANE 2580/4885

“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.