SCHEMBL1932876

SCHEMBL1932876

N#Cc1ccc([C@H]2CCC(=O)c3cncn32)cc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.67
CYP11B2 P19099 14/20 0.61
CYP11B1 P15538 7/20 0.61
KCNH2 Q12809 2/20 0.61
CYP17A1 P05093 1/20 0.44
HRH1 P35367 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
SCHEMBL1932877 1.00 CYP19A1 (0.67) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL14769012 0.82 CYP19A1 (0.43) CYP19A1CYP11B2CYP11B1KCNH2
SCHEMBL2348591 0.81 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
SCHEMBL17898239 0.81 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
Hydrochloric Acid SCHEMBL9836543 0.80 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2CYP17A1
Fadrozole SCHEMBL25491 0.76 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
S-Fadrozole SCHEMBL13449014 0.76 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Dexfadrostat SCHEMBL685516 0.76 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL3295820 0.76 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2
Fadrozole SCHEMBL4143 0.75 CYP19A1 (1.00) CYP19A1CYP11B2CYP11B1KCNH2

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-2507234-B1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-03-12 EP disclosed
EP-2507234-B1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2014-03-12 EP disclosed
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
EP-2507234-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2012-10-10 EP disclosed
WO-2011064376-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-06-03 WO disclosed
WO-2011064376-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2011-06-03 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-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 CYP19A1 58/4885CYP11B2 3/4885CYP11B1 1/4885

“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.