SCHEMBL730101

SCHEMBL730101

COc1ccc(C2(C)COCC(CN)=N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.45
KCNH2 Q12809 1/20 0.45
CHRNA1 P02708 1/20 0.37
CHRNG P07510 1/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRND Q07001 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
CTSE P14091 2/20 0.35
CTSD P07339 2/20 0.35

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
SCHEMBL3611973 0.72 TAAR1 (0.67) BACE1TAAR1CTSD
SCHEMBL3611977 0.72 TAAR1 (0.67) BACE1TAAR1CTSD
SCHEMBL730328 0.71 BACE1 (0.40) BACE1KCNH2CHRNA1CHRNGCHRNB1
SCHEMBL24342639 0.66 CA1 (0.48) BACE1KCNH2CHRNA1CHRNGCHRNB1
SCHEMBL5640458 0.64 CA1 (0.42) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL20790324 0.63 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL119428 0.63 CHRNA1 (0.50) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL5046292 0.61 CHRNA1 (0.45) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL730344 0.61 LMNA (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL10195094 0.61 BACE1 (1.00) BACE1KCNH2

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 BACE1 2045/4885KCNH2 718/4885CHRNA1 1108/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 BACE1 2097/4885KCNH2 642/4885CHRNA1 1187/4885

“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.