SCHEMBL16367137

SCHEMBL16367137

COC(=O)CN(CC(=O)OCc1ccccc1)[C@H]1CC[C@H](N)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CPB1 P15086 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
TRPM8 Q7Z2W7 3/20 0.41
RCOR1 Q9UKL0 1/20 0.40
TSHR P16473 1/20 0.40
ABCB1 P08183 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL19312069 0.77 ALDH1A1 (0.53) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL15778991 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL15778989 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL31460798 0.76 SIGMAR1 (0.54) ALDH1A1SMN1; SMN2TRPM8TSHR
Hydrochloric Acid SCHEMBL15796142 0.75 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL13603924 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL4785540 0.72 ALDH1A1 (0.50) ALDH1A1MAPK1L3MBTL1NPC1RAB9A
SCHEMBL9237582 0.72 ENPP2 (0.50) HTTALDH1A1L3MBTL1ABCB1
SCHEMBL17220130 0.71 SLC15A1 (0.46) ALDH1A1MAPK1L3MBTL1ABCB1
SCHEMBL8905198 0.71 TDP1 (0.41) ALDH1A1NPC1

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 HTT 1048/4885ALDH1A1 903/4885MAPK1 1534/4885

“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.