SCHEMBL1769844

SCHEMBL1769844

COc1ccc2cc(-c3cnccc3C(C)O)ccc2c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 16/20 0.64
CYP11B1 P15538 15/20 0.64
CYP1A2 P05177 4/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2C9 P11712 3/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
SLC22A12 Q96S37 1/20 0.53
CYP17A1 P05093 3/20 0.52
CYP19A1 P11511 1/20 0.52
CYP2B6 P20813 1/20 0.51
GSTP1 P09211 1/20 0.48
TEK Q02763 1/20 0.44

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
SCHEMBL6922179 0.85 CCNC (0.50) CYP11B2CYP11B1SLC22A12CYP17A1CYP19A1
SCHEMBL6919942 0.79 CYP11B2 (0.66) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL31061531 0.77 CYP11B2 (1.00) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL6919823 0.76 CYP11B1 (0.57) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1769970 0.76 RPS6KA3 (0.46) CYP11B2CYP11B1
SCHEMBL1769849 0.74 SLC22A12 (0.56) CYP11B2CYP11B1SLC22A12
SCHEMBL225893 0.74 CYP11B2 (0.78) CYP11B2CYP11B1CYP1A2CYP3A4CYP2C9
SCHEMBL1769848 0.74 SLC22A12 (0.49) CYP11B2CYP3A4CYP2D6SLC22A12
SCHEMBL1769990 0.74 RPS6KA3 (0.42) CYP11B2CYP11B1SLC22A12
SCHEMBL14225109 0.72 RPS6KA3 (0.52) CYP11B2CYP11B1SLC22A12

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 13 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
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-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
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
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 4/4885CYP11B1 2/4885CYP1A2 27/4885

“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.