SCHEMBL1769849

SCHEMBL1769849

COc1cc(-c2cnccc2C(C)O)ccc1C#N

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.56
AR P10275 2/20 0.51
PGR P06401 1/20 0.51
PRKCQ Q04759 14/20 0.44
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHEK1 O14757 1/20 0.39

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
SCHEMBL1769864 0.91 SLC22A12 (0.54) SLC22A12ARPGRPRKCQCYP11B1
SCHEMBL6920046 0.87 SLC22A12 (0.44) SLC22A12ARPGRPRKCQCYP11B1
SCHEMBL1769935 0.85 SLC22A12 (0.52) SLC22A12ARPGRPRKCQ
SCHEMBL1769869 0.85 SLC22A12 (0.52) SLC22A12ARPGRPRKCQ
SCHEMBL6920203 0.84 CYP11B2 (0.44) SLC22A12ARPGRCYP11B1CYP11B2
SCHEMBL6921372 0.83 SLC22A12 (0.50) SLC22A12ARPGRPRKCQCHEK1
SCHEMBL14225099 0.82 SLC22A12 (0.55) SLC22A12ARCYP11B1CYP11B2
SCHEMBL14225083 0.82 CYP11B1 (0.58) SLC22A12CYP11B1CYP11B2
SCHEMBL14239302 0.79 AR (0.49) SLC22A12ARPGRPRKCQCYP11B1
SCHEMBL6921702 0.79 SLC22A12 (0.49) SLC22A12ARPGRPRKCQCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501678-B1 ARYL-PYRIDINE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP claimed
CN-102712589-B Aryl-pyridine derivatives as aldosterone synthase inhibitors NOVARTIS AG 2015-05-13 CN claimed
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 SLC22A12 2415/4885AR 123/4885PGR 165/4885

“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.