SCHEMBL731580

SCHEMBL731580

COc1ccc(C2(C)COCC(C#N)N2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 2/20 0.42
CHRNG P07510 2/20 0.42
CHRNB1 P11230 2/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
CHRND Q07001 2/20 0.42
GAA P10253 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
ALDH1A1 P00352 3/20 0.33
POLB P06746 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ATM Q13315 2/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL730104 0.76 CHRNA1 (0.42) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL730344 0.66 LMNA (0.40) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL24342639 0.65 CA1 (0.48) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL23123298 0.64 CHRNA1 (0.47) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL119428 0.62 CHRNA1 (0.50) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL7713921 0.61 ALDH1A1 (0.38) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL1626522 0.60 ALDH1A1 (0.51) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL21874212 0.59 ALDH1A1 (0.50) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL15007267 0.59 CHRNB2 (1.00) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4
SCHEMBL15007923 0.59 CHRNB2 (1.00) CHRNA1CHRNGCHRNB1CHRNB2CHRNB4

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 CHRNA1 1108/4885CHRNG 2887/4885CHRNB1 1239/4885
US-20110092492-A1 IMIDAZO COMPOUNDS REN, CYP11B2, CYP11B1 CHRNA1 1187/4885CHRNG 2952/4885CHRNB1 1554/4885

“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.