SCHEMBL2020782

SCHEMBL2020782

O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00
KCNH2 Q12809 1/20 0.69
LTC4S Q16873 1/20 0.69

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
SCHEMBL2025800 0.90 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2023184 0.89 HCRTR2 (1.00) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9949164 0.86 HCRTR2 (0.75) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2131719 0.85 HCRTR2 (0.74) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9959007 0.84 HCRTR1 (0.72) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL9959004 0.84 HCRTR1 (0.90) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL15333826 0.84 HCRTR2 (0.72) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2131694 0.83 HCRTR2 (0.71) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL17150221 0.82 HCRTR2 (0.70) HCRTR1HCRTR2KCNH2LTC4S
SCHEMBL2023326 0.82 HCRTR2 (1.00) HCRTR1HCRTR2KCNH2LTC4S

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 15 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 claimed
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US claimed
EP-2516439-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2012-10-31 EP claimed
US-20120264748-A1 DIAZA-SPIRO[5.5]UNDECANES NOVARTIS AG (CH) 2012-10-18 US claimed
WO-2011076747-A1 DIAZA-SPIRO[5.5]UNDECANES AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2011-06-30 WO claimed
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

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 HCRTR1 3548/4885HCRTR2 3205/4885KCNH2 795/4885

“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.