SCHEMBL15033036

SCHEMBL15033036

CC(=O)Oc1ccc(CN2CCC(N)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2D6 P10635 1/20 0.47
S1PR5 Q9H228 1/20 0.46
SIGMAR1 Q99720 1/20 0.45
NPC1 O15118 1/20 0.45
HRH3 Q9Y5N1 4/20 0.45
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
ADRB2 P07550 1/20 0.44

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
SCHEMBL1081095 0.86 NPC1 (0.61) MEN1KMT2ARAB9AALDH1A1S1PR5
SCHEMBL1160471 0.84 S1PR5 (0.64) MEN1KMT2ARAB9AS1PR5NPC1
SCHEMBL27978651 0.81 HRH3 (0.55) HRH3HRH2HRH1
SCHEMBL1586714 0.80 SIGMAR1 (0.63) MEN1KMT2ASIGMAR1
SCHEMBL8101249 0.80 SIGMAR1 (0.63) MEN1KMT2ASIGMAR1
SCHEMBL4024651 0.79 SMN1; SMN2 (0.65) KMT2AHRH3
SCHEMBL22422459 0.79 SIGMAR1 (0.51) MEN1KMT2AALDH1A1SIGMAR1HRH3
Acetic Acid SCHEMBL3958555 0.79 SIGMAR1 (0.54) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL10502710 0.79 ALDH1A1 (0.52) MEN1KMT2ARAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL11534460 0.79 SIGMAR1 (0.61) MEN1KMT2ASIGMAR1

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 4228/4885RAB9A 4096/4885

“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.