SCHEMBL3570235

SCHEMBL3570235

COCCCN1Cc2cncn2C(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.66
CYP11B1 P15538 5/20 0.66
CYP19A1 P11511 10/20 0.43
KCNH2 Q12809 1/20 0.42
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL3571895 0.94 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1KCNH2GAA
SCHEMBL3572024 0.86 CYP11B2 (0.72) CYP11B2CYP11B1CYP19A1KCNH2HRH1
SCHEMBL3567629 0.81 CYP11B2 (0.64) CYP11B2CYP11B1CYP19A1KCNH2HRH1
SCHEMBL3576196 0.81 CYP11B1 (0.62) CYP11B2CYP11B1CYP19A1KCNH2HRH2
SCHEMBL3579726 0.81 CYP11B2 (0.77) CYP11B2CYP11B1CYP19A1KCNH2
SCHEMBL3576059 0.81 CYP11B2 (0.70) CYP11B2CYP11B1CYP19A1KCNH2HRH1
Hydrochloric Acid SCHEMBL3581689 0.80 CYP11B2 (0.63) CYP11B2CYP11B1CYP19A1KCNH2HRH1
SCHEMBL3573215 0.80 CYP11B2 (0.69) CYP11B2CYP11B1CYP19A1KCNH2HRH1
SCHEMBL3576859 0.80 CYP11B1 (0.81) CYP11B2CYP11B1CYP19A1KCNH2
SCHEMBL3574101 0.79 CYP11B1 (0.84) CYP11B2CYP11B1CYP19A1KCNH2

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
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US claimed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP claimed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP claimed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 US claimed
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP claimed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 WO claimed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2006-08-09 EP disclosed
US-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2006-07-27 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 (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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 CYP11B2 6/4885CYP11B1 1/4885CYP19A1 78/4885

“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.