SCHEMBL15021069

SCHEMBL15021069

CC(C)(C)OC(=O)NC1CCN(Cc2ccc(O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.59
KCNA3 P22001 1/20 0.53
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PARP1 P09874 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
ACHE P22303 1/20 0.50
BACE1 P56817 1/20 0.50
AKT1 P31749 1/20 0.50
MEN1 O00255 1/20 0.50
MAOB P27338 1/20 0.49
DRD2 P14416 3/20 0.48
TEAD1 P28347 2/20 0.48

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
SCHEMBL29260128 0.90 KCNA3 (0.53) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL27226915 0.90 SIGMAR1 (0.59) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL3351581 0.89 SIGMAR1 (0.60) SIGMAR1KCNA3PARP1PARP2
SCHEMBL30135707 0.89 KCNA3 (0.52) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL15021685 0.89 SIGMAR1 (0.60) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL915402 0.89 KMT2A (0.65) SIGMAR1KCNA3KMT2AL3MBTL1MEN1
SCHEMBL7475783 0.88 SIGMAR1 (0.65) SIGMAR1KCNA3KMT2AMEN1
SCHEMBL12011087 0.88 KMT2A (0.57) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL15021161 0.87 KCNA3 (0.50) SIGMAR1KCNA3KMT2AL3MBTL1PARP1
SCHEMBL22719510 0.87 TEAD1 (0.65) SIGMAR1KCNA3KMT2APARP1PARP2

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
EP-2794595-B1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
EP-2794595-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF Boehringer Ingelheim International GmbH (DE) 2014-10-29 EP disclosed
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US disclosed
WO-2013092674-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-27 WO disclosed
US-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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 (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-20130157981-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE THEREOF AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 SIGMAR1 2242/4885KCNA3 119/4885KMT2A 4228/4885

“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.