SCHEMBL729771

SCHEMBL729771

COc1ccc(C2(C)COCC3CN=CN32)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.38
CTSE P14091 3/20 0.38
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOB P27338 2/20 0.33
CTSD P07339 1/20 0.33
MAOA P21397 1/20 0.33

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 0.63 CA1 (0.48) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL730886 0.62 MAOB (0.34) BACE1CTSECHRNA1CHRNGCHRNB1
SCHEMBL119428 0.60 CHRNA1 (0.50) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL18287895 0.60 CHRNA1 (0.46) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL730104 0.58 CHRNA1 (0.42) BACE1CTSECHRNA1CHRNGCHRNB1
SCHEMBL731580 0.58 CHRNA1 (0.42) BACE1CTSECHRNA1CHRNGCHRNB1
SCHEMBL20790324 0.58 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL18840319 0.57 SLC6A4 (0.43) BACE1CTSECHRNA1CHRNGCHRNB1
SCHEMBL23174634 0.57 CHRNA1 (0.48) BACE1CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL18840325 0.57 SLC6A4 (0.43) BACE1CTSECHRNA1CHRNGCHRNB1

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 5 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

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 2045/4885CTSE 3705/4885CHRNA1 1108/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 BACE1 2097/4885CTSE 3822/4885CHRNA1 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.