SCHEMBL3575144

SCHEMBL3575144

COc1ccc(CN2Cc3cncn3C(c3cccc(C#N)c3)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.64
CYP11B1 P15538 1/20 0.64
FNTA P49354 5/20 0.40
FNTB P49356 5/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
VNN1 O95497 1/20 0.37
P2RX7 Q99572 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CA P42336 1/20 0.37
PGGT1B P53609 1/20 0.37
ADORA2A P29274 1/20 0.36
AR P10275 1/20 0.36

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
Hydrochloric Acid SCHEMBL3567457 0.99 CYP11B2 (0.62) CYP11B2CYP11B1FNTAFNTBNPBWR1
SCHEMBL3567494 0.90 CYP11B2 (0.67) CYP11B2CYP11B1FNTAFNTBKDM4E
Hydrochloric Acid SCHEMBL3573623 0.89 CYP11B2 (0.66) CYP11B2CYP11B1FNTAFNTBKDM4E
SCHEMBL3576750 0.89 CYP11B2 (0.68) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3579726 0.89 CYP11B2 (0.77) CYP11B2CYP11B1FNTAFNTBGRIN1
SCHEMBL3575429 0.89 CYP11B2 (0.80) CYP11B2CYP11B1FNTAFNTBPGGT1B
SCHEMBL3575150 0.88 CYP11B2 (0.67) CYP11B2CYP11B1FNTAFNTB
Hydrochloric Acid SCHEMBL3571489 0.88 CYP11B2 (0.67) CYP11B2CYP11B1FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL3568031 0.87 CYP11B2 (0.66) CYP11B2CYP11B1FNTAFNTB
SCHEMBL3578287 0.86 CYP11B1 (0.52) CYP11B2CYP11B1NPBWR1ALDH1A1PIK3R1

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
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
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 CYP11B2 6/4885CYP11B1 1/4885FNTA 1605/4885

“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.