SCHEMBL3567247

SCHEMBL3567247

C[C@@H](c1ccccc1)N1Cc2cncn2C(c2ccc(C#N)cc2)C1=O

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.63
CYP11B2 P19099 7/20 0.63
CYP19A1 P11511 9/20 0.43
KCNH2 Q12809 1/20 0.42
CYP3A4 P08684 2/20 0.38
ELANE P08246 3/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL3576959 1.00 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1KCNH2CYP3A4
SCHEMBL3567244 1.00 CYP11B1 (0.63) CYP11B1CYP11B2CYP19A1KCNH2CYP3A4
SCHEMBL3579561 0.87 CYP11B2 (0.61) CYP11B1CYP11B2CYP19A1KCNH2
SCHEMBL3563209 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3567442 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3578115 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3567431 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3570956 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3579225 0.86 CYP11B1 (0.45) CYP11B1CYP11B2CYP19A1CYP3A4MAPK1
SCHEMBL3575534 0.80 CYP11B1 (0.39) CYP11B1CYP11B2CYP3A4MAPK1

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 14 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
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
US-7732603-B2 Organic compounds as agents for the treatment of aldosterone mediated conditions NOVARTIS AG (CH) 2010-06-08 US disclosed
EP-1537114-B8 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2007-10-03 EP 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
EP-1537114-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS Novartis AG (CH) 2005-06-08 EP disclosed
WO-2004014914-A1 ORGANIC COMPOUNDS AS AGENTS FOR THE TREATMENT OF ALDOSTERONE MEDIATED CONDITIONS NOVARTIS AG (CH) 2004-02-19 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-20060166973-A1 Organic compounds as agents for the treatment of aldosterone mediated conditions CYP11B1, CYP27A1, CYP17A1 CYP11B1 1/4885CYP11B2 6/4885CYP19A1 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.