SCHEMBL1040113

SCHEMBL1040113

COC(=O)C1(c2ccc(C#N)cc2C(F)(F)F)CCc2cncn21

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.78
CYP19A1 P11511 3/20 0.75
CYP11B1 P15538 3/20 0.35
SSTR4 P31391 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
UBE2N P61088 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 2/20 0.33
AR P10275 1/20 0.33
CYP17A1 P05093 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 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
SCHEMBL1041615 0.87 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1039271 0.87 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1041634 0.87 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL30385322 0.87 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1038849 0.87 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1CYP17A1HRH1
SCHEMBL1040100 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1AR
SCHEMBL1039095 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1AR
SCHEMBL1040490 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1KDM4E
SCHEMBL13564594 0.85 CYP11B2 (0.79) CYP11B2CYP19A1CYP11B1
SCHEMBL1040054 0.85 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1KDM4E

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 US claimed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
US-9278969-B2 Organic compounds NOVARTIS AG (CH) 2016-03-08 US disclosed
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
US-20140357621-A1 Organic Compounds NOVARTIS AG (CH) 2014-12-04 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
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-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 US disclosed
US-20120277215-A1 Organic Compounds RECORDATI AG (CH) 2012-11-01 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-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
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
US-20070049616-A1 Organic compounds RECORDATI AG (CH) 2007-03-01 US 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 1/4885CYP11B1 5/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885CYP11B1 5/4885

“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.