SCHEMBL1106692

SCHEMBL1106692

[C-]#[N+]c1ccccc1Cn1cncc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31
PGGT1B P53609 2/20 0.31

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
SCHEMBL1097299 0.80 CYP19A1 (0.42) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL13160969 0.79 CYP11B1 (0.50) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6252365 0.79 BACE1 (0.44) BACE1
SCHEMBL1106690 0.75
SCHEMBL6602683 0.73 SIGMAR1 (0.42)
SCHEMBL3628808 0.70 CYP11B1 (0.60) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6598797 0.70 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL3463864 0.69 FNTA (0.47) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL1096475 0.69 CYP19A1 (0.41) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL1040990 0.69 CYP11B1 (0.39) CYP11B1CYP11B2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153674-B2 Organic compounds NOVARTIS AG (CH) 2012-04-10 US disclosed
US-20090182007-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 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-20090182007-A1 ORGANIC COMPOUNDS REN, CYP17A1, HSD17B1 BACE1 1709/4885CYP11B1 12/4885CYP11B2 28/4885

“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.