SCHEMBL2817853

SCHEMBL2817853

COC(=O)c1cncn1C1CN(C)Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.41
SLC6A4 P31645 15/20 0.41
SLC6A3 Q01959 13/20 0.41
MAPK1 P28482 1/20 0.40
CYP11B2 P19099 2/20 0.37
RBP4 P02753 1/20 0.35
CYP11B1 P15538 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 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
SCHEMBL9493435 0.81 CYP11B2 (0.43) MAPK1CYP11B2
SCHEMBL9493247 0.81 CYP11B2 (0.43) MAPK1CYP11B2
SCHEMBL2817700 0.81 CYP11B2 (0.43) MAPK1CYP11B2
SCHEMBL2817669 0.80 MAPK1 (0.40) MAPK1CYP11B2CYP11B1IDO1
SCHEMBL2819171 0.80 MAPK1 (0.40) SLC6A2SLC6A4SLC6A3MAPK1CYP11B2
SCHEMBL10387698 0.79 MAPK1 (0.40) MAPK1CYP11B2RBP4CYP11B1IDO1
SCHEMBL3190003 0.75 MAPK1 (0.47) SLC6A4SLC6A3MAPK1CYP11B2CYP11B1
SCHEMBL2819823 0.74 MAPK1 (0.42) MAPK1CYP11B2CYP11B1IDO1
SCHEMBL2817741 0.74 CYP11B2 (0.43) MAPK1CYP11B2CYP11B1IDO1TDO2
SCHEMBL2819821 0.74 MAPK1 (0.42) MAPK1CYP11B2CYP11B1IDO1

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 11 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
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-2094807-A1 REACTIVE ADHESIVE Henkel AG & Co. KGaA (DE) 2009-09-02 EP 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
WO-2008061828-A1 REACTIVE ADHESIVE HENKEL AG & CO. KGAA (DE) 2008-05-29 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 SLC6A2 2586/4885SLC6A4 3167/4885SLC6A3 3879/4885

“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.