SCHEMBL2028029

SCHEMBL2028029

Cc1ccc(-n2nccn2)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HCRTR1 O43613 5/20 0.34
HCRTR2 O43614 5/20 0.34
CYP3A4 P08684 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
ATM Q13315 1/20 0.33
MAPT P10636 2/20 0.32
KCNJ1 P48048 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL29936071 0.79 KAT6A (0.39) ALDH1A1HCRTR1HCRTR2CYP3A4KDM4E
SCHEMBL14359344 0.77 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9APKM
SCHEMBL15889951 0.77 KMT2A (0.49) ALDH1A1TSHRNPC1RAB9AMEN1
SCHEMBL11232353 0.75 PIK3CD (0.51) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL25342936 0.73 ADH5 (0.48) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL31402344 0.73 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9APKM
SCHEMBL29570319 0.73 ADH5 (0.48) TSHRMEN1KMT2ACYP3A4LMNA
SCHEMBL22641636 0.72 KMT2A (0.53) ALDH1A1NPC1RAB9APKMMEN1
SCHEMBL14036784 0.71 ALDH1A1 (0.59) ALDH1A1NPC1RAB9APKMMEN1
SCHEMBL16767641 0.71 ALDH1A1 (0.35) ALDH1A1TSHRNPC1RAB9APKM

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 12 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
CN-102762567-A Diaza-spiro[5.5]undecanes as orexin receptor antagonists NOVARTIS AG 2012-10-31 CN 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 ALDH1A1 74/4885TSHR 2423/4885NPC1 289/4885

“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.