SCHEMBL336136

SCHEMBL336136

Cc1ncc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.46
STS P08842 3/20 0.45
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
EPHX2 P34913 2/20 0.43
CNR1 P21554 2/20 0.42
CNR2 P34972 1/20 0.42
EPHX1 P07099 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 1/20 0.42
THRB P10828 1/20 0.42
BRD4 O60885 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
SCHEMBL1433531 0.84 NOS2 (0.44) ALDH1A1HTTGPR119KCNH2KDM4E
SCHEMBL3984822 0.83 ALDH1A1 (0.48) CCNT1STSALDH1A1MAPTL3MBTL1
SCHEMBL16466490 0.82 USP30 (0.48) STSALDH1A1MAPTL3MBTL1NPC1
SCHEMBL2082767 0.79 SSTR4 (0.46) CCNT1STSALDH1A1MAPTL3MBTL1
SCHEMBL652849 0.79 HTT (0.57) STSALDH1A1MAPTL3MBTL1NPC1
SCHEMBL15205875 0.79 IDO1 (0.44) STSALDH1A1MAPTL3MBTL1NPC1
SCHEMBL2793493 0.78 GPR119 (0.57) ALDH1A1MAPTL3MBTL1NPC1MAPK1
SCHEMBL4139961 0.78 STS (0.56) CCNT1STSALDH1A1MAPTL3MBTL1
SCHEMBL27696246 0.77 ALDH1A1 (0.49) CCNT1STSALDH1A1MAPTL3MBTL1
SCHEMBL23166329 0.77 JAK1 (0.50) CCNT1STSALDH1A1MAPTL3MBTL1

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-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
EP-2300476-B1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LTD (GB) 2014-01-08 EP disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
US-8097628-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-01-17 US disclosed
EP-2300476-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS Glaxo Group Limited (GB) 2011-03-30 EP disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
US-20090306089-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-10 US disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 WO disclosed
WO-2009141398-A1 TRICYCLIC NITROGEN CONTAINING COMPOUNDS AND THEIR USE AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-11-26 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-20090306089-A1 COMPOUNDS SDHA, NQO1, SDHB CCNT1 1577/4885STS 1113/4885ALDH1A1 612/4885

“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.