SCHEMBL729979

SCHEMBL729979

CC(C)(C)[Si](C)(C)OC(C(=O)OC(c1c[nH]cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(C#N)cc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.31
CTSG P08311 1/20 0.31
CTRB1 P17538 1/20 0.31
CMA1 P23946 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
SCHEMBL730322 0.80
SCHEMBL7260793 0.74 KCNH2 (0.34)
SCHEMBL5891827 0.73 CYP19A1 (0.36)
SCHEMBL731885 0.73 AGER (0.35)
SCHEMBL732273 0.72 GSK3B (0.35) PRSS1CTSGCTRB1CMA1
SCHEMBL7724615 0.72 HTT (0.40) PRSS1CTSGCTRB1CMA1
SCHEMBL730392 0.72 PRSS1 (0.38) PRSS1CTSGCTRB1CMA1
SCHEMBL8156288 0.71 MAOB (0.39)
SCHEMBL729770 0.71 MEN1 (0.31)
SCHEMBL3120536 0.71 AGER (0.34)

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-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 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 (1 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-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 PRSS1 854/4885CTSG 4408/4885CTRB1 1451/4885

“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.