SCHEMBL16367134

SCHEMBL16367134

CN(Cc1ccccc1)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.54
HRH4 Q9H3N8 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
SLC18A3 Q16572 1/20 0.49
AOC3 Q16853 1/20 0.47
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
NAAA Q02083 2/20 0.43
KDM4E B2RXH2 1/20 0.43
OPRM1 P35372 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
OPRL1 P41146 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
PRMT8 Q9NR22 1/20 0.42

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
SCHEMBL16607846 1.00 GRIN2B (0.54) GRIN2BHRH4HRH3SLC18A3AOC3
Hydrochloric Acid SCHEMBL18062690 0.98 GRIN2B (0.52) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL3375289 0.91 GRIN2B (0.61) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL15970179 0.90 GRIN2B (0.48) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL11251947 0.85 HRH3 (0.67) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL23950410 0.84 NAAA (0.49) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL14506713 0.84 GRIN2B (0.55) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL12680890 0.84 GRIN2B (0.55) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL31715951 0.84 NAAA (0.49) GRIN2BHRH4HRH3SLC18A3AOC3
SCHEMBL13744978 0.84 GRIN2B (0.55) GRIN2BHRH4HRH3SLC18A3AOC3

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-3019492-B1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INT (DE) 2017-09-06 EP disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
US-9126982-B2 Heterocyclic compounds, medicaments containing them, use and processes for the preparation thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-08 US disclosed
WO-2015003958-A1 AMILORIDE-TYPE COMPOUNDS AS INHIBITORS IN EPITHELIAL SODIUM CHANNELS FOR THE TREATMENT OF DISEASES OF THE LUNGS AND AIRWAYS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-15 WO disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 US disclosed
US-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-08 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-20150011535-A1 HETEROCYCLIC COMPOUNDS, MEDICAMENTS CONTAINING THEM, USE AND PROCESSES FOR THE PREPARATION THEREOF SCNN1B, SCNN1A, TRPM5 GRIN2B 1977/4885HRH4 218/4885HRH3 568/4885

“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.