SCHEMBL2817209

SCHEMBL2817209

CC(C)OC(=O)c1cncn1C1CCCc2ccc(N3CCCC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.38
CTSS P25774 1/20 0.38
CYP19A1 P11511 2/20 0.37
MTNR1B P49286 1/20 0.37
CYP11B2 P19099 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 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
SCHEMBL2817726 0.85 CYP19A1 (0.38) CYP19A1MTNR1BCYP11B2
SCHEMBL2818824 0.85 CYP19A1 (0.41) CYP19A1MTNR1BCYP11B2POLB
SCHEMBL2817846 0.85 CYP19A1 (0.39) CYP19A1MTNR1BL3MBTL1
SCHEMBL2817844 0.85 CYP19A1 (0.39) CYP19A1MTNR1BL3MBTL1
SCHEMBL2820404 0.85 MTNR1B (0.51) MTNR1BCYP11B2
SCHEMBL2820351 0.83 CYP11B2 (0.41) CYP19A1CYP11B2
SCHEMBL2820997 0.83 CYP11B2 (0.41) CYP19A1CYP11B2
SCHEMBL2820348 0.83 CYP11B2 (0.41) CYP19A1CYP11B2
SCHEMBL2818540 0.83 CYP11B2 (0.51) CYP19A1CYP11B2
SCHEMBL2818026 0.82 CYP19A1 (0.40) CYP19A1MTNR1BCYP11B2

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 9 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
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US 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

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 KDM4C 2058/4885CTSS 1294/4885CYP19A1 11/4885

“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.