SCHEMBL2026080

SCHEMBL2026080

Cc1noc(-c2ccccc2CBr)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
ADRA1A P35348 1/20 0.44
PDK2 Q15119 2/20 0.44
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
ACHE P22303 1/20 0.41
RAB9A P51151 7/20 0.41
L3MBTL1 Q9Y468 7/20 0.41
NPC1 O15118 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPK1 P28482 4/20 0.41
TP53 P04637 4/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 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
SCHEMBL2090203 0.85 KMT2A (0.50) KMT2AADRA1APDK2HCRTR1HCRTR2
SCHEMBL4184771 0.83 KMT2A (0.46) KMT2AADRA1APDK2HCRTR1HCRTR2
SCHEMBL2658919 0.77 RAB9A (0.64) KMT2AADRA1APDK2ACHERAB9A
SCHEMBL9949734 0.77 NPC1 (0.44) KMT2ARAB9AL3MBTL1NPC1SMN1; SMN2
SCHEMBL8362955 0.77 NPC1 (0.58) KMT2AADRA1APDK2ACHERAB9A
SCHEMBL13712980 0.75 KMT2A (0.47) KMT2AADRA1APDK2HCRTR1HCRTR2
SCHEMBL14842292 0.74 CASP3 (0.68) KMT2APDK2RAB9ANPC1SMN1; SMN2
SCHEMBL17725585 0.74 CASP3 (0.54) KMT2AADRA1APDK2ACHERAB9A
SCHEMBL10094742 0.74 NPC1 (0.68) KMT2APDK2RAB9AL3MBTL1NPC1
SCHEMBL2062074 0.74 ACHE (0.53) KMT2AADRA1APDK2ACHERAB9A

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 18 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
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 US disclosed
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2013-10-24 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
US-8530648-B2 Diaza-spiro[5.5]undecanes NOVARTIS AG (CH) 2013-09-10 US disclosed
EP-2632924-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Novartis AG (CH) 2013-09-04 EP 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-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
WO-2012055888-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 US disclosed
US-20120101110-A1 Diaza-spiro[5.5]undecanes NOVARTIS PHARMA AG (CH) 2012-04-26 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 (3 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 KMT2A 3384/4885ADRA1A 27/4885PDK2 276/4885
US-20130281463-A1 DIAZA-SPIRO[5.5]UNDECANES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY5R KMT2A 1399/4885ADRA1A 69/4885PDK2 877/4885
US-20120101110-A1 Diaza-spiro[5.5]undecanes REN, PKD1, NR3C2 KMT2A 3528/4885ADRA1A 35/4885PDK2 322/4885

“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.