SCHEMBL3746927

SCHEMBL3746927

CCS(=O)(=O)NC(c1cncc(-c2ccc(C#N)cc2)c1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 7/20 0.51
CYP11B1 P15538 3/20 0.45
XDH P47989 1/20 0.42
KCNH2 Q12809 2/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
GRIA2 P42262 4/20 0.39
ALPL P05186 3/20 0.38
CTPS1 P17812 1/20 0.38
GRIA1 P42261 2/20 0.37
GRIA3 P42263 2/20 0.37
GRIA4 P48058 1/20 0.37
KDM1A O60341 1/20 0.36
HDAC1 Q13547 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL3751097 0.91 CYP11B2 (0.47) CYP11B2CYP11B1XDHKCNH2SCN10A
SCHEMBL747041 0.86 CYP11B2 (0.45) CYP11B2CYP11B1GRIA2KDM1A
SCHEMBL3741359 0.85 CYP11B2 (0.48) CYP11B2CYP11B1GRIA2
SCHEMBL3741360 0.85 CYP11B2 (0.48) CYP11B2CYP11B1GRIA2
SCHEMBL3742615 0.85 CYP11B2 (0.48) CYP11B2CYP11B1GRIA2
SCHEMBL13048503 0.85 CYP11B2 (0.53) CYP11B2CYP11B1SCN10AGRIA2
SCHEMBL745723 0.85 CYP11B2 (0.53) CYP11B2SCN10AALPLCTPS1
SCHEMBL28410297 0.85 CYP11B2 (0.55) CYP11B2
SCHEMBL753993 0.85 CYP11B2 (0.44) CYP11B2CYP11B1KCNH2ALPL
SCHEMBL3740351 0.85 CYP11B2 (0.44) CYP11B2CYP11B1KCNH2ALPL

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803217-B Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2015-06-17 CN claimed
EP-2429995-B1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-01-22 EP claimed
US-8383827-B2 Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-02-26 US claimed
CN-102803217-A Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2012-11-28 CN claimed
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US claimed
CN-104892502-B It is used as the aryl-pyridine of aldosterone synthase inhibitors 诺华股份有限公司 2017-08-04 CN disclosed
CN-104892502-A Aryl pyridine as aldosterone synthase inhibitors NOVARTIS AG 2015-09-09 CN disclosed
CN-102803217-B Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2015-06-17 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
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-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
US-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 US disclosed
CN-102803217-A Aryl pyridines as aldosterone synthase inhibitors NOVARTIS AG 2012-11-28 CN 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
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 (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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885XDH 135/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885XDH 135/4885

“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.