SCHEMBL3628808

SCHEMBL3628808

CC(C)(C)[Si](C)(C)OCc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.60
CYP11B2 P19099 9/20 0.60
CYP19A1 P11511 1/20 0.55
FNTA P49354 5/20 0.55
FNTB P49356 5/20 0.55
PGGT1B P53609 5/20 0.55

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
SCHEMBL13160969 0.84 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL3463864 0.82 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL1097299 0.79 CYP19A1 (0.42) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL8812553 0.77 CYP2A6 (0.46) CYP11B1CYP11B2CYP19A1
SCHEMBL6366103 0.77 CYP11B1 (0.79) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7083825 0.76 CYP11B1 (0.76) CYP11B1CYP11B2CYP19A1FNTAFNTB
Bromide SCHEMBL3625451 0.76 CYP11B1 (0.77) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL6598797 0.76 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL8677989 0.76 CYP11B1 (0.70) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7507201 0.75 CYP11B1 (0.74) CYP11B1CYP11B2CYP19A1FNTAFNTB

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 6 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 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
US-20040110764-A1 Inhibitors of prenyl-protein transferase STUMP CRAIG A (US) 2004-06-10 US disclosed
US-5856326-A ANTITUMOR, ANTICANCER AGENTS MERCK & CO., INC. (US) 1999-01-05 US disclosed
WO-1996030343-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 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 (2 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
US-20040110764-A1 Inhibitors of prenyl-protein transferase FNTA, KRAS, PTAR1 CYP11B1 2149/4885CYP11B2 2804/4885CYP19A1 3187/4885

“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.