SCHEMBL1038849

SCHEMBL1038849

COC(=O)C1(c2ccc(C#N)cc2OC(F)(F)F)CCc2cncn21

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 13/20 0.81
CYP19A1 P11511 3/20 0.72
BACE2 Q9Y5Z0 1/20 0.35
CYP11B1 P15538 3/20 0.34
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CYP3A4 P08684 1/20 0.33
CACNA1C Q13936 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33
FNTB P49356 2/20 0.33
HRH1 P35367 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CNR1 P21554 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
CYP17A1 P05093 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL30385322 1.00 CYP11B2 (0.81) CYP11B2CYP19A1BACE2CYP11B1CACNA1G
SCHEMBL1040054 0.90 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1
SCHEMBL1040490 0.90 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1
SCHEMBL1040113 0.87 CYP11B2 (0.78) CYP11B2CYP19A1CYP11B1HRH1CYP17A1
SCHEMBL1041615 0.86 CYP11B2 (1.00) CYP11B2CYP19A1BACE2CYP11B1HRH1
SCHEMBL1039271 0.86 CYP11B2 (1.00) CYP11B2CYP19A1BACE2CYP11B1HRH1
SCHEMBL1041634 0.86 CYP11B2 (0.81) CYP11B2CYP19A1CYP11B1HRH1CYP17A1
SCHEMBL31366853 0.85 CYP11B2 (0.77) CYP11B2CYP19A1CYP11B1CACNA1GCACNA1H
SCHEMBL14813268 0.84 CYP11B2 (0.57) CYP11B2CYP19A1BACE2CYP11B1CACNA1G
SCHEMBL1040100 0.84 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1

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 140 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
EP-1919916-B1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2013-04-03 EP claimed
US-12209144-B2 Cyclic peptides as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2025-01-28 US disclosed
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders NOVARTIS AG (CH) 2023-11-14 US disclosed
WO-2023084449-A1 DIAMINOCYCLOPENTYLPYRIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2023-05-19 WO disclosed
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER NOVARTIS AG (CH) 2023-03-23 US disclosed
US-11426375-B2 Substituted bisphenyl butanoic ester derivatives as NEP inhibitors NOVARTIS AG (CH) 2022-08-30 US disclosed
US-20220024981-A1 CYCLIC PEPTIDES AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS NOVARTIS AG (CH) 2022-01-27 US disclosed
EP-3887365-A1 CYCLIC TETRAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2021-10-06 EP disclosed
EP-3887363-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER Novartis AG (CH) 2021-10-06 EP disclosed
EP-3887388-A1 CYCLIC PEPTIDES AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS Novartis AG (CH) 2021-10-06 EP disclosed
EP-2270011-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2011-01-05 EP disclosed
WO-2010136474-A2 SUBSTITUTED AMINOBUTYRIC DERIVATIVES AS NEPRILYSIN INHIBITORS NOVARTIS AG (CH) 2010-12-02 WO disclosed
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors NOVARTIS AG (CH) 2010-12-02 US disclosed
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors NOVARTIS AG (CH) 2010-12-02 US 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 (9 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 1/4885BACE2 1721/4885
US-11813306-B2 Cyclic tetramer compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CYP11B2 335/4885CYP19A1 1031/4885BACE2 514/4885
US-20100305131-A1 Substituted Aminopropionic Derivatives as Neprilysin inhibitors MME, AGTR1, REN CYP11B2 1442/4885CYP19A1 2807/4885BACE2 244/4885
US-20220024981-A1 CYCLIC PEPTIDES AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDERS PCSK9, PCSK7, PCSK6 CYP11B2 817/4885CYP19A1 1449/4885BACE2 445/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885BACE2 1721/4885
US-20100305145-A1 Substituted Aminobutyric Derivatives as Neprilysin Inhibitors MME, GABRB1, GABRE CYP11B2 1414/4885CYP19A1 2960/4885BACE2 77/4885
US-11426375-B2 Substituted bisphenyl butanoic ester derivatives as NEP inhibitors MME, REN, ECE1 CYP11B2 309/4885CYP19A1 2195/4885BACE2 40/4885
US-20230089867-A1 CYCLIC PENTAMER COMPOUNDS AS PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) INHIBITORS FOR THE TREATMENT OF METABOLIC DISORDER PCSK9, PCSK7, PCSK6 CYP11B2 403/4885CYP19A1 880/4885BACE2 213/4885
US-12209144-B2 Cyclic peptides as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders PCSK9, PCSK7, PCSK6 CYP11B2 817/4885CYP19A1 1449/4885BACE2 445/4885

“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.