SCHEMBL730886

SCHEMBL730886

COc1ccc(C2(C)COCc3cncn32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
BACE1 P56817 6/20 0.34
CTSE P14091 2/20 0.34
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
CACNA1H O95180 1/20 0.32
CTSD P07339 1/20 0.32
KCNH2 Q12809 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
GRIN1 Q05586 1/20 0.31

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
SCHEMBL24342639 0.64 CA1 (0.48) MAOBMAOABACE1CHRNA1CHRNG
SCHEMBL729771 0.62 BACE1 (0.38) MAOBMAOABACE1CTSECHRNA1
SCHEMBL119428 0.61 CHRNA1 (0.50) MAOBMAOABACE1CHRNA1CHRNG
SCHEMBL730101 0.59 BACE1 (0.45) MAOBMAOABACE1CTSECHRNA1
SCHEMBL730344 0.59 LMNA (0.40) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL20790324 0.58 CHRNA1 (0.47) MAOBMAOACHRNA1CHRNGCHRNB1
SCHEMBL31691368 0.58 CHRNA1 (0.41) MAOBMAOABACE1CHRNA1CHRNG
SCHEMBL10319425 0.57 CYP3A4 (0.47) MAOBMAOACYP3A4CYP2C19GRIN1
SCHEMBL13657908 0.57 CHRNA1 (0.46) MAOBMAOABACE1CHRNA1CHRNG
SCHEMBL13657912 0.57 CHRNA1 (0.46) MAOBMAOABACE1CHRNA1CHRNG

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138176-B2 Imidazo compounds NOVARTIS AG (CH) 2012-03-20 US disclosed
US-20110092492-A1 IMIDAZO COMPOUNDS HEROLD PETER 2011-04-21 US disclosed
US-7879847-B2 such as 4-(5,6-Dihydro-8H-imidazo[5,1-c][1,4]oxazin-5-yl)benzonitrile, having aldosterone synthase and/or 11- beta -hydroxylase inhibitory activity, used for the treatment of hypertension and Cushing's Syndrome NOVARTIS AG (CH) 2011-02-01 US disclosed
EP-2007770-B1 IMIDAZO COMPOUNDS NOVARTIS AG (CH) 2010-09-08 EP disclosed
US-20090192144-A1 Imidazo Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-07-30 US disclosed
EP-2007770-A1 IMIDAZO COMPOUNDS Speedel Experimenta AG (CH) 2008-12-31 EP disclosed
WO-2007116099-A1 IMIDAZO COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2007-10-18 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 (2 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-20090192144-A1 Imidazo Compounds REN, CYP11B2, CYP11B1 MAOB 313/4885MAOA 357/4885BACE1 2045/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 MAOB 411/4885MAOA 441/4885BACE1 2097/4885

“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.