SCHEMBL2024166

SCHEMBL2024166

CC(C)(C)OC(=O)N1CCC2(CCCN(Cc3cccc4ccccc34)C2=O)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 14/20 0.56
HCRTR1 O43613 11/20 0.55
ACHE P22303 1/20 0.51
USP30 Q70CQ3 1/20 0.43
RIPK1 Q13546 1/20 0.43
DTYMK P23919 1/20 0.42
CYP11B2 P19099 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL2028926 0.82 HCRTR2 (0.56) HCRTR2HCRTR1USP30RIPK1HDAC1
SCHEMBL12641399 0.81 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL13465150 0.79 HCRTR2 (0.64) HCRTR2HCRTR1
SCHEMBL17608805 0.78 HDAC1 (0.55) ACHEUSP30RIPK1HDAC1HDAC8
SCHEMBL23293544 0.78 ACHE (0.60) ACHE
SCHEMBL30422174 0.78 ACHE (0.60) ACHE
SCHEMBL16830462 0.78 ACHE (0.60) ACHE
SCHEMBL2030083 0.77 HTR6 (0.49) HCRTR2HCRTR1
SCHEMBL12641223 0.77 HCRTR2 (0.63) HCRTR2HCRTR1
Hydrochloric Acid SCHEMBL2022807 0.76 HCRTR2 (0.62) HCRTR2HCRTR1

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
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
EP-2516439-B1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2014-01-22 EP disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
EP-2516439-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-10-31 EP disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 WO disclosed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 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-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES REN, PKD1, NR3C2 HCRTR2 3205/4885HCRTR1 3548/4885ACHE 1477/4885

“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.