SCHEMBL2817680

SCHEMBL2817680

COC(=O)c1cncn1C1CCc2cc(C#N)ccc21

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.54
CYP11B1 P15538 5/20 0.52
CYP19A1 P11511 4/20 0.49
CYP17A1 P05093 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
DPP4 P27487 1/20 0.41
CYP3A4 P08684 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2820948 0.94 CYP11B2 (0.56) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
SCHEMBL2819615 0.85 CYP11B2 (0.45) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
SCHEMBL2817696 0.84 CYP17A1 (0.40) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
SCHEMBL2816749 0.84 GHSR (0.40) CYP11B2
SCHEMBL2818723 0.83 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
Nitric Acid SCHEMBL9674254 0.77 CYP11B2 (0.41) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
SCHEMBL2818540 0.75 CYP11B2 (0.51) CYP11B2CYP11B1CYP19A1CYP17A1HRH1
SCHEMBL2817700 0.75 CYP11B2 (0.43) CYP11B2CYP19A1
SCHEMBL9493435 0.75 CYP11B2 (0.43) CYP11B2CYP19A1
SCHEMBL9493247 0.75 CYP11B2 (0.43) CYP11B2CYP19A1

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-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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 (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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885CYP11B1 1/4885CYP19A1 11/4885

“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.