SCHEMBL1076732

SCHEMBL1076732

CN(Cc1ccc(F)cc1)C(=O)C1(c2ccc(C#N)cc2Cl)CCc2cncn21

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.80
CYP19A1 P11511 2/20 0.63
NSD2 O96028 1/20 0.41
TACR3 P29371 4/20 0.38
CYP11B1 P15538 2/20 0.35
FFAR2 O15552 1/20 0.35
AR P10275 1/20 0.34

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
SCHEMBL29884989 0.90 CYP11B2 (0.73) CYP11B2CYP19A1TACR3CYP11B1
SCHEMBL1037643 0.90 CYP11B2 (0.73) CYP11B2CYP19A1TACR3CYP11B1
SCHEMBL1040020 0.89 CYP11B2 (1.00) CYP11B2CYP19A1NSD2TACR3CYP11B1
SCHEMBL1036330 0.85 CYP11B2 (0.75) CYP11B2CYP19A1CYP11B1
SCHEMBL1040314 0.85 CYP11B2 (0.67) CYP11B2CYP19A1CYP11B1
SCHEMBL1041248 0.84 CYP11B2 (0.63) CYP11B2CYP19A1CYP11B1
SCHEMBL1041019 0.83 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1AR
SCHEMBL30385317 0.83 CYP11B2 (1.00) CYP11B2CYP19A1CYP11B1AR
SCHEMBL1040118 0.83 CYP11B2 (0.70) CYP11B2CYP19A1CYP11B1
SCHEMBL1040095 0.81 CYP11B2 (0.87) CYP11B2CYP19A1

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 17 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-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
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-20130287789-A1 Organic Compounds NOVARTIS AG (CH) 2013-10-31 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-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
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 1/4885NSD2 4664/4885
US-20130287789-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885NSD2 4664/4885
US-20120277215-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885NSD2 4664/4885
US-20140357621-A1 Organic Compounds CYP19A1, CYP17A1, HSD17B11 CYP11B2 14/4885CYP19A1 1/4885NSD2 4664/4885

“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.