SCHEMBL174754

SCHEMBL174754

CCC(=O)NC1CCc2nc(Br)sc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
SCN9A Q15858 2/20 0.45
SCN3A Q9NY46 2/20 0.45
SCN5A Q14524 1/20 0.45
SCN4A P35499 1/20 0.45
DRD3 P35462 3/20 0.44
DRD2 P14416 2/20 0.44
HRH2 P25021 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
DRD4 P21917 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 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
SCHEMBL1235008 0.85 MTNR1A (0.46) MTNR1AMTNR1BSCN9ASCN3ASCN4A
SCHEMBL1031126 0.85 DRD3 (0.62) SCN9ASCN3ASCN5ASCN4ADRD3
SCHEMBL8204692 0.85 DRD3 (0.62) SCN9ASCN3ASCN5ASCN4ADRD3
SCHEMBL1235006 0.85 MTNR1A (0.46) MTNR1AMTNR1BSCN9ASCN3ASCN4A
SCHEMBL1031127 0.85 DRD3 (0.62) SCN9ASCN3ASCN5ASCN4ADRD3
SCHEMBL28424830 0.84 NPC1 (0.54)
Hydrochloric Acid SCHEMBL27632996 0.84 ADRA2A (0.63) SCN9ASCN3ASCN5ASCN4ADRD3
Bromide SCHEMBL4103965 0.84 DRD3 (0.61) SCN9ASCN3ASCN5ASCN4ADRD3
SCHEMBL17165294 0.83 DRD3 (0.60) SCN9ASCN3ASCN5ASCN4ADRD3
SCHEMBL17156950 0.83 SCN3A (0.48) SCN9ASCN3ASCN5ASCN4A

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-2611444-B1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LTD (IN) 2015-10-14 EP disclosed
US-8912179-B2 Heterocyclyl compounds as histamine H3 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2014-12-16 US disclosed
US-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2014-05-29 US disclosed
EP-2611444-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2013-07-10 EP disclosed
WO-2012029070-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2012-03-08 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 (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-20140148440-A1 HETEROCYCLYL COMPOUNDS AS HISTAMINE H3 RECEPTOR LIGANDS HRH3, HRH4, HRH1 MTNR1A 245/4885MTNR1B 191/4885SCN9A 1012/4885

“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.