SCHEMBL15033017

SCHEMBL15033017

N#Cc1ccc(OCCN2CCC(N)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.82
HRH2 P25021 9/20 0.82
HRH1 P35367 9/20 0.82
SIGMAR1 Q99720 2/20 0.56
KCNA5 P22460 2/20 0.54
MEN1 O00255 2/20 0.54

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
SCHEMBL1715600 0.94 HRH3 (0.92) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL1714312 0.87 HRH3 (0.71) HRH3HRH2HRH1KCNA5
SCHEMBL1715421 0.86 HRH3 (0.93) HRH3HRH2HRH1MEN1
SCHEMBL19189997 0.86 HRH3 (0.63) HRH3HRH2HRH1SIGMAR1MEN1
SCHEMBL4874490 0.84 HRH3 (0.82) HRH3HRH2HRH1KCNA5
SCHEMBL15071682 0.83 HRH3 (0.70) HRH3HRH2HRH1SIGMAR1KCNA5
SCHEMBL5623066 0.83 HRH3 (0.79) HRH3HRH2HRH1KCNA5MEN1
SCHEMBL227297 0.83 HRH3 (0.85) HRH3HRH2HRH1
SCHEMBL5214779 0.83 HRH3 (1.00) HRH3HRH2HRH1
SCHEMBL19047571 0.81 HRH3 (0.68) HRH3HRH2HRH1SIGMAR1KCNA5

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 HRH3 534/4885HRH2 203/4885HRH1 202/4885

“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.