SCHEMBL1040490

SCHEMBL1040490

COC(=O)[C@@]1(c2ccc(C#N)cc2OC)CCc2cncn21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 15/20 1.00
CYP19A1 P11511 2/20 0.79
IDO1 P14902 1/20 0.37
CYP11B1 P15538 4/20 0.36
EGLN1 Q9GZT9 1/20 0.33
FGFR4 P22455 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1040054 1.00 CYP11B2 (1.00) CYP11B2CYP19A1IDO1CYP11B1EGLN1
SCHEMBL1040554 0.92 CYP11B2 (0.85) CYP11B2CYP19A1IDO1CYP11B1
SCHEMBL31326542 0.92 CYP11B2 (0.85) CYP11B2CYP19A1IDO1CYP11B1
SCHEMBL13563929 0.91 CYP11B2 (0.83) CYP11B2CYP19A1IDO1CYP11B1
SCHEMBL1037561 0.91 CYP11B2 (0.82) CYP11B2CYP19A1IDO1CYP11B1
SCHEMBL1041634 0.90 CYP11B2 (0.81) CYP11B2CYP19A1IDO1CYP11B1
SCHEMBL1038849 0.90 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1
SCHEMBL30385322 0.90 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1
SCHEMBL16200646 0.89 CYP11B2 (0.80) CYP11B2CYP19A1IDO1CYP11B1EGLN1
SCHEMBL8238659 0.88 CYP11B2 (0.79) CYP11B2CYP19A1IDO1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 US disclosed
EP-2256118-B1 Condensed imidazolo derivatives for the inhibition of aromatase and the treatment of aldosterone related diseases NOVARTIS AG (CH) 2014-10-29 EP disclosed
US-8835646-B2 Organic compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US disclosed
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 EP disclosed
US-8314097-B2 Organic compounds NOVARTIS AG (CH) 2012-11-20 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
EP-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 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 (4 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-20070049616-A1 Organic compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885IDO1 1650/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885IDO1 1650/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885IDO1 1650/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885IDO1 1650/4885

“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.