SCHEMBL746431

SCHEMBL746431

CCN(C(c1cncc(-c2ccc(C#N)c(Cl)c2)c1)C1CC1)S(=O)(=O)CC

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 0.41
CYP11B1 P15538 13/20 0.41
SLC22A12 Q96S37 2/20 0.36
PGR P06401 2/20 0.34
GRIA2 P42262 1/20 0.34
CYP2C19 P33261 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
SCHEMBL29886383 1.00 CYP11B2 (0.41) CYP11B2CYP11B1SLC22A12PGRGRIA2
SCHEMBL13048687 0.93 CYP11B2 (0.41) CYP11B2CYP11B1SLC22A12PGRGRIA2
SCHEMBL13048692 0.91 CYP11B2 (0.42) CYP11B2CYP11B1SLC22A12PGRGRIA2
SCHEMBL13048685 0.90 CYP11B2 (0.40) CYP11B2CYP11B1SLC22A12PGRGRIA2
SCHEMBL751772 0.90 CYP11B2 (0.42) CYP11B2CYP11B1SLC22A12GRIA2
SCHEMBL3478190 0.88 CYP11B1 (0.41) CYP11B2CYP11B1SLC22A12PGR
SCHEMBL745296 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PGRGRIA2
SCHEMBL751429 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PGRGRIA2
SCHEMBL745295 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PGRGRIA2
SCHEMBL29885851 0.79 CYP11B2 (0.47) CYP11B2CYP11B1PGRGRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
CN-113166204-A Cyclic peptides as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
US-8809545-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2014-08-19 US disclosed
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CHAMOIN SYLVIE (FR) 2013-11-07 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519142-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US disclosed
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
EP-2429995-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US disclosed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 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 (3 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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885SLC22A12 2635/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885SLC22A12 2635/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885SLC22A12 2635/4885

“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.