SCHEMBL16367146

SCHEMBL16367146

COC(=O)CN(CC(=O)N1CCN(C)CC1)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
GLA P06280 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR1A P08908 1/20 0.32
KDM1A O60341 3/20 0.32
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.31

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
SCHEMBL16367136 0.91 GNAI3 (0.38) SMN1; SMN2MAPTGNAI3GNAO1GNAI1
SCHEMBL16367138 0.88 GNAI3 (0.32) GNAI3GNAO1GNAI1
SCHEMBL16367149 0.87 ALDH1A1 (0.41) SMN1; SMN2GAAGLATSHRGNAI3
SCHEMBL16367147 0.83 HSD11B1 (0.36) SMN1; SMN2GAATSHRMEN1KMT2A
SCHEMBL16367140 0.75 L3MBTL3 (0.43) GNAI3GNAO1GNAI1KDM1AMAOB
SCHEMBL16367148 0.75 GNAI3 (0.34) GNAI3GNAO1GNAI1KDM1A
SCHEMBL16385922 0.74 GAA (0.42) SMN1; SMN2MAPTGAAGLAALOX15
SCHEMBL16367145 0.70 HSD11B1 (0.38) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL10053018 0.69 RAB9A (0.49) SMN1; SMN2MAPTGAAGLATSHR
Hydrochloric Acid SCHEMBL7588570 0.68 HSD11B1 (0.37) SMN1; SMN2TSHRMEN1KMT2A

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 SMN1; SMN2 2051/4885MAPT 219/4885GAA 734/4885

“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.