SCHEMBL6920241

SCHEMBL6920241

CC(C)(O)c1c(F)cncc1-c1cc2cc(C#N)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.39
SLC22A12 Q96S37 6/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
PLAU P00749 1/20 0.37
GPR119 Q8TDV5 1/20 0.35
JAK2 O60674 2/20 0.35
JAK3 P52333 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP2A6 P11509 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
SCHEMBL1769883 0.80 PLAU (0.41) CYP11B2SLC22A12CHRM2CHRM4CHRM5
SCHEMBL6921831 0.80 CYP11B2 (0.62) CYP11B2SLC22A12CHRM2CHRM4CHRM5
SCHEMBL6920943 0.79 CYP11B2 (0.53) CYP11B2SLC22A12L3MBTL1CYP11B1
SCHEMBL14152255 0.71 CYP11B2 (0.62) CYP11B2SLC22A12CHRM2CHRM4CHRM5
SCHEMBL30774454 0.69 CHRM2 (0.42) CYP11B2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14676299 0.68 CHRM2 (0.43) CYP11B2CHRM2CHRM4CHRM5CHRM1
SCHEMBL30774431 0.67 CHRM2 (0.40) CYP11B2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6921418 0.66 CYP11B2 (0.44) CYP11B2SLC22A12CYP11B1
SCHEMBL6921274 0.65 CYP11B2 (0.50) CYP11B2SLC22A12CYP11B1
SCHEMBL28128673 0.64 CYP2A6 (0.52) SLC22A12CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2993169-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2016-03-09 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-8519134-B2 Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-08-27 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
US-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-12-13 US disclosed
EP-2501678-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-09-26 EP disclosed
WO-2011061168-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-05-26 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-20120316195-A1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP11B1, CYP17A1 CYP11B2 4/4885SLC22A12 2415/4885CHRM2 1883/4885

“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.