SCHEMBL16367153

SCHEMBL16367153

CNC(=O)CN1CCC[N+](C)(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.35
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL19311997 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL6218142 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL6039740 0.81
SCHEMBL4697006 0.79 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TDP1KDM4ENPC1
SCHEMBL13214851 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL26577967 0.75 KDM4E (0.39) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL24489899 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL21764406 0.73 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TDP1KDM4ECHRM5
SCHEMBL20230977 0.73 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TDP1KDM4ENPC1
SCHEMBL13255644 0.71 SIGMAR1 (0.64) ALDH1A1SMN1; SMN2KDM4ESIGMAR1POLB

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 3 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-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 ALDH1A1 903/4885SMN1; SMN2 2051/4885TDP1 3128/4885

“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.