SCHEMBL3755079

SCHEMBL3755079

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

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.44
CYP11B1 P15538 12/20 0.44
AKT1 P31749 1/20 0.40
SLC22A12 Q96S37 1/20 0.39
AR P10275 2/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
CTSC P53634 1/20 0.37
XDH P47989 1/20 0.37

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
SCHEMBL3751446 0.88 CYP11B1 (0.43) CYP11B2CYP11B1AKT1SLC22A12AR
SCHEMBL3750947 0.86 CYP11B2 (0.46) CYP11B2CYP11B1AKT1SLC22A12AR
SCHEMBL15435143 0.84 CYP11B2 (0.48) CYP11B2CYP11B1SLC22A12
SCHEMBL749863 0.82 GRIA2 (0.45) CYP11B2CYP11B1SLC22A12S1PR1S1PR3
SCHEMBL765352 0.82 CYP11B2 (0.44) CYP11B2CYP11B1SLC22A12
SCHEMBL3755082 0.82 CYP11B2 (0.44) CYP11B2CYP11B1AKT1
SCHEMBL15435101 0.82 CYP11B2 (0.46) CYP11B2CYP11B1AKT1SLC22A12S1PR1
SCHEMBL3477336 0.82 CYP11B2 (0.46) CYP11B2CYP11B1SLC22A12
SCHEMBL3751453 0.80 CYP11B2 (0.43) CYP11B2CYP11B1SLC22A12
SCHEMBL745296 0.80 CYP11B2 (0.47) CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 US claimed
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-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-20130035354-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-02-07 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 2/4885AKT1 3362/4885
US-20130296309-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885AKT1 3362/4885
US-20100292225-A1 ARYL PYRIDINE AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885CYP11B1 2/4885AKT1 3362/4885

“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.