SCHEMBL15033015

SCHEMBL15033015

COC(=O)c1ccc(CN2CCC(C)(N)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 2/20 0.58
ATM Q13315 1/20 0.58
POLB P06746 1/20 0.57
CHKA P35790 1/20 0.56
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 2/20 0.54
CXCR3 P49682 1/20 0.54
HPGD P15428 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
NPFFR1 Q9GZQ6 1/20 0.52
NPFFR2 Q9Y5X5 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50

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
SCHEMBL20333157 0.89 MEN1 (0.60) MEN1KMT2AMAPTATMPOLB
SCHEMBL15071684 0.85 MEN1 (0.57) MEN1KMT2AMAPTATMPOLB
SCHEMBL20210248 0.82 CHKA (0.77) MEN1KMT2AMAPTATMCHKA
SCHEMBL2873979 0.82 CHKA (0.72) MEN1KMT2AMAPTCHKAKDM4E
Hydrochloric Acid SCHEMBL3882134 0.81 CHKA (0.71) MEN1KMT2AMAPTATMCHKA
SCHEMBL1335735 0.81 CHKA (0.71) MEN1KMT2AMAPTATMCHKA
SCHEMBL228900 0.81 CHKA (0.71) MEN1KMT2AMAPTATMCHKA
SCHEMBL20656953 0.80 MEN1 (0.55) MEN1KMT2AMAPTATMPOLB
SCHEMBL64588 0.80 CHKA (0.82) MEN1KMT2AMAPTCHKAKDM4E
SCHEMBL19609177 0.80 CHKA (0.65) MEN1KMT2AMAPTATMPOLB

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 6 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
US-8859559-B2 Substituted pyrazines and their use in the treatment of disease BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-14 US 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
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 MEN1 680/4885KMT2A 4228/4885MAPT 227/4885

“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.