SCHEMBL1036261

SCHEMBL1036261

Cc1cc(C#N)ccc1C1CCCc2cncn21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 17/20 1.00
CYP11B1 P15538 7/20 0.86
CYP19A1 P11511 8/20 0.70
KCNH2 Q12809 2/20 0.66
CYP17A1 P05093 1/20 0.64
HRH1 P35367 1/20 0.64

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
SCHEMBL14823806 0.96 CYP11B2 (0.93) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1041017 0.93 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1037544 0.86 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1039611 0.86 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1036743 0.86 CYP11B2 (0.75) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1040144 0.86 CYP11B2 (0.86) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1038834 0.85 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1037946 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1038619 0.82 CYP11B2 (0.84) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1
SCHEMBL1040487 0.82 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1KCNH2CYP17A1

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-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-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-2256118-A1 Condensed imidazolo derivatives for the inhibition of aromatase Novartis AG (CH) 2010-12-01 EP disclosed
EP-1919916-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE Novartis AG (CH) 2008-05-14 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
WO-2007024945-A1 CONDENSED IMIDAZOLO DERIVATIVES FOR THE INHIBITION OF ALDOSTERONE SYNTHASE AND AROMATASE NOVARTIS AG (CH) 2007-03-01 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 (3 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 14/4885CYP11B1 5/4885CYP19A1 1/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885CYP19A1 1/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP11B1 5/4885CYP19A1 1/4885

“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.