SCHEMBL2821140

SCHEMBL2821140

COC(=O)c1cncn1C1c2ccccc2OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.60
MAPK1 P28482 1/20 0.41
TNKS O95271 1/20 0.37
ABCB1 P08183 1/20 0.35
ABCC9 O60706 3/20 0.35
CYP11B1 P15538 1/20 0.34
IDO1 P14902 3/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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
SCHEMBL1098830 0.86 CYP11B2 (0.79) CYP11B2MAPK1TNKSCYP11B1IDO1
SCHEMBL1098831 0.86 CYP11B2 (0.79) CYP11B2MAPK1TNKSCYP11B1IDO1
SCHEMBL10493983 0.83 CYP11B2 (0.47) CYP11B2MAPK1CYP11B1IDO1ALDH1A1
SCHEMBL9672735 0.81 CYP11B2 (0.45) CYP11B2MAPK1ALDH1A1TRPV1POLB
SCHEMBL10387596 0.81 CYP11B2 (0.52) CYP11B2MAPK1TNKSCYP11B1IDO1
SCHEMBL9777356 0.79 CYP11B2 (0.48) CYP11B2MAPK1CYP11B1IDO1ALDH1A1
SCHEMBL9777272 0.78 CYP11B2 (0.48) CYP11B2MAPK1TNKSCYP11B1IDO1
SCHEMBL9493477 0.78 CYP11B2 (0.48) CYP11B2MAPK1TNKSCYP11B1IDO1
SCHEMBL9494229 0.78 CYP11B2 (0.47) CYP11B2MAPK1CYP11B1IDO1ALDH1A1
SCHEMBL2818227 0.78 CYP11B2 (0.58) CYP11B2MAPK1CYP11B1IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 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 (1 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-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 CYP11B2 6/4885MAPK1 977/4885TNKS 4150/4885

“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.