SCHEMBL2820404

SCHEMBL2820404

COc1ccc2c(c1)C(n1cncc1C(=O)OC(C)C)CCC2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 9/20 0.51
MTNR1A P48039 6/20 0.45
PDE7A Q13946 1/20 0.40
PDE7B Q9NP56 1/20 0.40
CYP11B2 P19099 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL9492669 0.90 MTNR1B (0.54) MTNR1BMTNR1A
SCHEMBL2818824 0.87 CYP19A1 (0.41) MTNR1BCYP11B2
SCHEMBL2817726 0.87 CYP19A1 (0.38) MTNR1BCYP11B2
SCHEMBL2820351 0.85 CYP11B2 (0.41) CYP11B2
SCHEMBL2820997 0.85 CYP11B2 (0.41) CYP11B2
SCHEMBL2820348 0.85 CYP11B2 (0.41) CYP11B2
SCHEMBL2818540 0.85 CYP11B2 (0.51) CYP11B2
SCHEMBL2817209 0.85 KDM4C (0.38) MTNR1BCYP11B2
SCHEMBL2818026 0.84 CYP19A1 (0.40) MTNR1BCYP11B2
SCHEMBL2818594 0.84 PDE7A (0.40) MTNR1BPDE7APDE7BCYP11B2

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 10 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
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 MTNR1B 826/4885MTNR1A 1763/4885PDE7A 2887/4885

“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.